SMIRKS
[C:1]([C:2]([C:3]([H:14])([H:15])[H:16])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:17])([H:18])[H:19])=[C:9]([C:10]([O:11][H:20])([H:21])[H:22])[H:23])([H:24])[H:25])([H:26])[H:27])[H:28])([H:29])([H:30])[H:31].[H]O[O:12][H]>>[C:1]([C:2]([C:3]([H:14])([H:15])[H:16])=[C:4]([C:5]([C:6]([C:7]1([C:8]([H:17])([H:18])[H:19])[C:9]([C:10]([O:11][H:20])([H:21])[H:22])([H:23])[O:12]1)([H:24])[H:25])([H:26])[H:27])[H:28])([H:29])([H:30])[H:31]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E448 - Reaction Operator E
[#6:19](-[#6@:8])(-[#6@:17])=[#6:20](-[H:89])-[#6:21].[#8]=[#8:69]>>[H:89]-[#6@:20]1(-[#6@@:19](-[#6@:8])(-[#6@:17])-[#8:69]-1)-[#6:21]
EVODEX.1-N128 - Reaction Operator N
[#6:19](-[#6@:8])(-[#6@:17])=[#6:20](-[H:89])-[#6:21].[#8]=[#8:69]>>[H:89]-[#6@:20]1(-[#6@@:19](-[#6@:8])(-[#6@:17])-[#8:69]-1)-[#6:21]
EVODEX.1-Em210 - Reaction Operator Em
[#6:8]-[#6:19](-[#6:17])=[#6:20]-[#6:21].[#8]=[#8:69]>>[#6:8]-[#6:19]1(-[#6:17])-[#6:20](-[#6:21])-[#8:69]-1
EVODEX.1-Nm210 - Reaction Operator Nm
[#6:8]-[#6:19](-[#6:17])=[#6:20]-[#6:21].[#8]=[#8:69]>>[#6:8]-[#6:19]1(-[#6:17])-[#6:20](-[#6:21])-[#8:69]-1
Source Full Reactions
EVODEX.1-R261
[C:1]([C:2]([C:3]([H:14])([H:15])[H:16])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:17])([H:18])[H:19])=[C:9]([C:10]([O:11][H:20])([H:21])[H:22])[H:23])([H:24])[H:25])([H:26])[H:27])[H:28])([H:29])([H:30])[H:31].[H][O:12][O:13][H:32]>>[C:1]([C:2]([C:3]([H:14])([H:15])[H:16])=[C:4]([C:5]([C:6]([C:7]1([C:8]([H:17])([H:18])[H:19])[C:9]([C:10]([O:11][H:20])([H:21])[H:22])([H:23])[O:12]1)([H:24])[H:25])([H:26])[H:27])[H:28])([H:29])([H:30])[H:31].[H][O:13][H:32]