SMIRKS
[H][C@:11]([N:10]([H:40])[H:41])([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]>>[H]OC(=O)[C@]([H])(C([H])([H])C([H])([H])SC([H])([H])[H])[N:10]([H:40])[H:41].O=[C:11]([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]
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-R3847
[C:1]([S:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:24])([H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31].[H][C@:11]([N:10]([H:40])[H:41])([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]>>[H][C@:5]([C:4]([C:3]([S:2][C:1]([H:29])([H:30])[H:31])([H:27])[H:28])([H:25])[H:26])([C:7](=[O:8])[O:9][H:24])[N:10]([H:40])[H:41].[O:6]=[C:11]([C:12]([S:13][C:14]1:[C:15]([H:32]):[C:16]([H:33]):[C:17]([Br:18]):[C:19]([H:34]):[C:20]:1[H:35])([H:36])[H:37])[C:21](=[O:22])[O:23][H:38]