SMIRKS
[H]C([H])([H])C([H])([H])O[C:15]([C:7]([C:6]([C:4]([O:3][C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36])=[O:5])([H:33])[H:34])([S:8][P:9](=[S:10])([O:11][C:12]([H:21])([H:22])[H:23])[O:13][C:14]([H:24])([H:25])[H:26])[H:32])=[O:16].[H][O:20][H:40]>>[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([S:8][P:9](=[S:10])([O:11][C:12]([H:21])([H:22])[H:23])[O:13][C:14]([H:24])([H:25])[H:26])([C:15](=[O:16])[O:20][H:40])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39]
Derived Operators
EVODEX.1-F343 - Elemental Balance
| O | -1 |
| C | -2 |
| H | -6 |
EVODEX.1-M190 - Mass Difference
-46.04188
EVODEX.1-E610 - Reaction Operator E
[#6:7]-[#6:12](=[#8:13])-[#8]-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H].[#8:17](-[H:40])-[H]>>[#6:7]-[#6:12](=[#8:13])-[#8:17]-[H:40]
EVODEX.1-C497 - Reaction Operator C
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:10].[H]-[#8:15]>>[#6:10]-[#8:15]
EVODEX.1-N612 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:15]-[H:40]>>[#6:9]-[#6:10](=[#8:11])-[#8:15]-[H:40]
EVODEX.1-Em30 - Reaction Operator Em
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
EVODEX.1-Nm30 - Reaction Operator Nm
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
Source Full Reactions
EVODEX.1-R4729
[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([S:8][P:9](=[S:10])([O:11][C:12]([H:21])([H:22])[H:23])[O:13][C:14]([H:24])([H:25])[H:26])([C:15](=[O:16])[O:17][C:18]([C:19]([H:27])([H:28])[H:29])([H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][O:20][H:40]>>[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([S:8][P:9](=[S:10])([O:11][C:12]([H:21])([H:22])[H:23])[O:13][C:14]([H:24])([H:25])[H:26])([C:15](=[O:16])[O:20][H:40])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][O:17][C:18]([C:19]([H:27])([H:28])[H:29])([H:30])[H:31]