SMIRKS
[H][C@:2]([N:1]([H:23])[H:24])([C:3]([S:4][H:18])([H:19])[H:20])[C:5](=[O:6])[O:7][H:21]>>O=[C:2]([C:3]([S:4][H:18])([H:19])[H:20])[C:5](=[O:6])[O:7][H:21].[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:23])[H:24]
Derived Operators
EVODEX.1-F60 - Elemental Balance
| O | 5 |
| C | 5 |
| H | 6 |
EVODEX.1-M58 - Mass Difference
146.02147999999997
EVODEX.1-C65 - Reaction Operator C
[H]-[#6@@:39]-[#7:40]>>[#8]=[#6:39].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:40]
EVODEX.1-N51 - Reaction Operator N
[H]-[#6@@:39](-[#7:40](-[H:70])-[H:71])(-[#6@:5])-[#6@:37]>>[#8]=[#6:39](-[#6@:5])-[#6@:37].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:40](-[H:70])-[H:71]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3503
[H][C@:2]([N:1]([H:23])[H:24])([C:3]([S:4][H:18])([H:19])[H:20])[C:5](=[O:6])[O:7][H:21].[O:8]=[C:9]([O:10][H:25])[C:11]([C:12]([C:13](=[O:14])[C:15](=[O:16])[O:17][H:26])([H:27])[H:28])([H:29])[H:30]>>[C:2]([C:3]([S:4][H:18])([H:19])[H:20])([C:5](=[O:6])[O:7][H:21])=[O:14].[H][C@:13]([N:1]([H:23])[H:24])([C:12]([C:11]([C:9](=[O:8])[O:10][H:25])([H:29])[H:30])([H:27])[H:28])[C:15](=[O:16])[O:17][H:26]