SMIRKS
[H]OC(=O)C(C([H])([H])C([H])([H])SC([H])([H])[H])=[O:6].[H]N([H])[C@@:11]([H])([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]>>[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]
Derived Operators
EVODEX.1-F379 - Elemental Balance
| O | -2 |
| C | -5 |
| S | -1 |
| N | -1 |
| H | -11 |
EVODEX.1-M154 - Mass Difference
-149.05113
EVODEX.1-E1173 - Reaction Operator E
[#6](-[#16]-[#6](-[#6](-[#6](=[#8:6])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#7](-[#6@@:11](-[#6:12])(-[#6:21]=[#8:22])-[H])(-[H])-[H]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-C428 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])=[#8:6].[H]-[#7](-[H])-[#6@@:11]-[H]>>[#8:6]=[#6:11]
EVODEX.1-N518 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])=[#8:6].[H]-[#7](-[H])-[#6@@:11](-[H])(-[#6:12])-[#6:21]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
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]