SMIRKS
[H][C@@:5]([C:4]([C:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:27])([H:28])[H:29])[H:36])([H:34])[H:35])([N:6]([H:30])[H:31])[C:7](=[O:8])[O:9][H:32]>>O=[C:5]([C:4]([C:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:27])([H:28])[H:29])[H:36])([H:34])[H:35])[C:7](=[O:8])[O:9][H:32].[H]OC(=O)[C@]([H])(C([H])([H])C([H])([H])SC([H])([H])[H])[N:6]([H:30])[H:31]
Derived Operators
EVODEX.1-F382 - Elemental Balance
| O | 3 |
| C | 5 |
| S | 1 |
| H | 8 |
EVODEX.1-M381 - Mass Difference
148.01944
EVODEX.1-E1177 - Reaction Operator E
[#7:10](-[#6@@:11](-[#6:12])(-[#6:21]=[#8:22])-[H])(-[H:40])-[H:41]>>[#6](-[#16]-[#6](-[#6](-[#6@@](-[#6](=[#8])-[#8]-[H])(-[#7:10](-[H:40])-[H:41])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-C429 - Reaction Operator C
[H]-[#6@:11]-[#7:10]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])-[#7:10].[#8]=[#6:11]
EVODEX.1-N519 - Reaction Operator N
[H]-[#6@:11](-[#7:10](-[H:40])-[H:41])(-[#6:12])-[#6:21]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])-[#7:10](-[H:40])-[H:41].[#8]=[#6:11](-[#6:12])-[#6:21]
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-R3694
[C:10]([S:11][C:12]([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][C@@:5]([C:4]([C:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:27])([H:28])[H:29])[H:36])([H:34])[H:35])([N:6]([H:30])[H:31])[C:7](=[O:8])[O:9][H:32]>>[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])([C:4]([C:5]([C:7](=[O:8])[O:9][H:32])=[O:15])([H:34])[H:35])[H:36])([H:37])([H:38])[H:39].[H][C@:14]([N:6]([H:30])[H:31])([C:13]([C:12]([S:11][C:10]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])[C:16](=[O:17])[O:18][H:19]
EVODEX.1-R3744
[H][C:13]([C:12]([S:11][C:10]([H:24])([H:25])[H:26])([C:14](=[O:15])[C:16](=[O:17])[O:18][H:22])[H:23])([H:19])[H:20].[H][C:1]([C:2]([C:3]([H:27])([H:28])[H:29])([C:4]([C@:5]([N:6]([H:30])[H:31])([C:7](=[O:8])[O:9][H:32])[H:33])([H:34])[H:35])[H:36])([H:37])[H:38]>>[H][C:12]([S:11][C:10]([H:24])([H:25])[H:26])([C:13]([C@:5]([N:6]([H:30])[H:31])([C:7](=[O:8])[O:9][H:32])[H:33])([H:19])[H:20])[H:23].[H][C:4]([C:2]([C:1]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:22])([H:37])[H:38])([C:3]([H:27])([H:28])[H:29])[H:36])([H:34])[H:35]