SMIRKS
[H]OC([H])([H])C(=O)[C@@]([H])(O[H])[C@:7]([O:8][H])([C@:9]([O:10][H:38])([C:11]([S:12](=[O:13])(=[O:14])[O:15][H:39])([H:40])[H:41])[H:42])[H:43]>>[C:7](=[O:8])([C@:9]([O:10][H:38])([C:11]([S:12](=[O:13])(=[O:14])[O:15][H:39])([H:40])[H:41])[H:42])[H:43]
Derived Operators
EVODEX.1-F53 - Elemental Balance
| O | -3 |
| C | -3 |
| H | -6 |
EVODEX.1-M212 - Mass Difference
-90.03168000000001
EVODEX.1-E575 - Reaction Operator E
[#6:4]-[#6:5](-[#8:6]-[H])(-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H:19]>>[#6:4]-[#6:5](=[#8:6])-[H:19]
EVODEX.1-C270 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:5]-[#8:6]-[H]>>[#6:5]=[#8:6]
EVODEX.1-N297 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:5](-[#6:4])(-[#8:6]-[H])-[H:19]>>[#6:4]-[#6:5](=[#8:6])-[H:19]
EVODEX.1-Em87 - Reaction Operator Em
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
EVODEX.1-Nm123 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
Source Full Reactions
EVODEX.1-R1901
[H][O:19][C@@:18]([C:17](=[O:16])[H:32])([C:20]([O:21][P:22](=[O:23])([O:24][H:27])[O:25][H:28])([H:29])[H:30])[H:31].[H][O:8][C@@:7]([C@@:5]([C:2](=[O:1])[C:3]([O:4][H:33])([H:34])[H:35])([O:6][H:36])[H:44])([C@:9]([O:10][H:38])([C:11]([S:12](=[O:13])(=[O:14])[O:15][H:39])([H:40])[H:41])[H:42])[H:43]>>[C:7](=[O:8])([C@:9]([O:10][H:38])([C:11]([S:12](=[O:13])(=[O:14])[O:15][H:39])([H:40])[H:41])[H:42])[H:43].[H][O:1][C@@:2]1([C:3]([O:4][H:33])([H:34])[H:35])[C@:5]([O:6][H:36])([H:44])[C@@:17]([O:16][H])([H:32])[C@:18]([C:20]([O:21][P:22](=[O:23])([O:24][H:27])[O:25][H:28])([H:29])[H:30])([H:31])[O:19]1