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|
[PH5].CN.Oc1ccccc1>CC.*>n1ccccc1 |$;;;;;;;;;;;;2. acid;;;;;;$|
$RXN
-INDIGO- 0100000000
3 1 2
$MOL
-INDIGO-01000000002D
1 0 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 P 0 0 0 0 0 5 0 0 0 0 0 0
M END
$MOL
-INDIGO-01000000002D
2 1 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
M END
$MOL
-INDIGO-01000000002D
7 7 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 4 0 0 0 0
3 4 4 0 0 0 0
4 5 4 0 0 0 0
5 6 4 0 0 0 0
6 7 4 0 0 0 0
7 2 4 0 0 0 0
M END
$MOL
-INDIGO-01000000002D
6 6 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 4 0 0 0 0
2 3 4 0 0 0 0
3 4 4 0 0 0 0
4 5 4 0 0 0 0
5 6 4 0 0 0 0
6 1 4 0 0 0 0
M END
$MOL
-INDIGO-01000000002D
2 1 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
M END
$MOL
-INDIGO-01000000002D
1 0 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 A 0 0 0 0 0 0 0 0 0 0 0 0
A 1
2. acid
M END
3 reactants
2 catalysts
1 products
6 molecules
MOLECULE: [PH5]
MOLECULE: CN
MOLECULE: CC
MOLECULE: Oc1ccccc1
MOLECULE: c1cccc[n]1
MOLECULE: * |$2. acid$|
REACTANT: [PH5]
REACTANT: CN
REACTANT: Oc1ccccc1
CATALYST: CC
CATALYST: * |$2. acid$|
PRODUCT: c1cccc[n]1
REMOVING
2 reactants
2 catalysts
0 products
4 molecules
MOLECULE: CN
MOLECULE: CC
MOLECULE: Oc1ccccc1
MOLECULE: * |$2. acid$|
REACTANT: CN
REACTANT: Oc1ccccc1
CATALYST: CC
CATALYST: * |$2. acid$|
|
