SMIRKS
[C:1]([C:2]1=[C:3]([H:13])[C:4]([H:14])([H:15])[C:5]([C:6]([C:7]([H:16])([H:17])[H:18])([C:8]([H:19])([H:20])[H:21])[H:22])=[C:9]([H:23])[C:10]1([H:24])[H:25])([H:26])([H:27])[H:28].[H]O[O:11][H]>>[C:1]([C:2]12[C:3]([H:13])([C:4]([H:14])([H:15])[C:5]([C:6]([C:7]([H:16])([H:17])[H:18])([C:8]([H:19])([H:20])[H:21])[H:22])=[C:9]([H:23])[C:10]1([H:24])[H:25])[O:11]2)([H:26])([H:27])[H:28]
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-R260
[C:1]([C:2]1=[C:3]([H:13])[C:4]([H:14])([H:15])[C:5]([C:6]([C:7]([H:16])([H:17])[H:18])([C:8]([H:19])([H:20])[H:21])[H:22])=[C:9]([H:23])[C:10]1([H:24])[H:25])([H:26])([H:27])[H:28].[H][O:11][O:12][H:29]>>[C:1]([C:2]12[C:3]([H:13])([C:4]([H:14])([H:15])[C:5]([C:6]([C:7]([H:16])([H:17])[H:18])([C:8]([H:19])([H:20])[H:21])[H:22])=[C:9]([H:23])[C:10]1([H:24])[H:25])[O:11]2)([H:26])([H:27])[H:28].[H][O:12][H:29]