SMIRKS
[H]N([H])[C@@:5]([H])([C:4]([C:3]([S:2][C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])[C:7](=[O:8])[O:9][H:21].[H]OC(=O)C(C([H])([H])C(=O)N([H])[H])=[O:15]>>[C:1]([S:2][C:3]([C:4]([C:5]([C:7](=[O:8])[O:9][H:21])=[O:15])([H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29]
Derived Operators
EVODEX.1-F436 - Elemental Balance
| O | -3 |
| C | -4 |
| N | -2 |
| H | -8 |
EVODEX.1-M79 - Mass Difference
-132.05354
EVODEX.1-E1245 - Reaction Operator E
[#7](-[#6@@:11](-[#6:12])(-[#6:17]=[#8:18])-[H])(-[H])-[H].[#7](-[#6](=[#8])-[#6](-[#6](=[#8:6])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H]>>[#8:6]=[#6:11](-[#6:12])-[#6:17]=[#8:18]
EVODEX.1-C435 - Reaction Operator C
[H]-[#7](-[H])-[#6@@:11]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])=[#8:6]>>[#8:6]=[#6:11]
EVODEX.1-N527 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:11](-[H])(-[#6:12])-[#6:17].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])=[#8:6]>>[#8:6]=[#6:11](-[#6:12])-[#6:17]
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-R3554
[H][C@@:5]([C:4]([C:3]([S:2][C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([N:6]([H:19])[H:20])[C:7](=[O:8])[O:9][H:21].[N:10]([C:11](=[O:12])[C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:30])([H:31])[H:32])([H:33])[H:34]>>[C:1]([S:2][C:3]([C:4]([C:5]([C:7](=[O:8])[O:9][H:21])=[O:15])([H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][C@:14]([N:6]([H:19])[H:20])([C:13]([C:11]([N:10]([H:33])[H:34])=[O:12])([H:31])[H:32])[C:16](=[O:17])[O:18][H:30]