SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:10]([C@:5]([C:4]([C:3]([S:2][C:1]([H:34])([H:35])[H:36])([H:32])[H:33])([H:30])[H:31])([N:6]([C:7]([C:8]([H:19])([H:20])[H:21])=[O:9])[H:22])[H:29])=[O:11])C([H])([H])[H].[H][O:18][H:37]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7]([C:8]([H:19])([H:20])[H:21])=[O:9])[H:22])([C:10](=[O:11])[O:18][H:37])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])([H:35])[H:36]
Derived Operators
EVODEX.1-F263 - Elemental Balance
| O | -2 |
| C | -3 |
| N | -1 |
| H | -7 |
EVODEX.1-M49 - Mass Difference
-89.04771000000001
EVODEX.1-E996 - Reaction Operator E
[#6](-[#6@](-[#7](-[#6:4](=[#8:5])-[#6:6])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H].[#8:15](-[H:29])-[H]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[H:29]
EVODEX.1-C617 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10])-[#6](-[H])(-[H])-[H].[H]-[#8:18]>>[#6:10]-[#8:18]
EVODEX.1-N772 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10](-[#6@:5])=[#8:11])-[#6](-[H])(-[H])-[H].[H]-[#8:18]-[H:37]>>[#6:10](-[#6@:5])(=[#8:11])-[#8:18]-[H:37]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5735
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7]([C:8]([H:19])([H:20])[H:21])=[O:9])[H:22])([C:10](=[O:11])[N:12]([C@@:13]([C:14]([H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])([H:35])[H:36].[H][O:18][H:37]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7]([C:8]([H:19])([H:20])[H:21])=[O:9])[H:22])([C:10](=[O:11])[O:18][H:37])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])([H:35])[H:36].[H][N:12]([C@@:13]([C:14]([H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28]