SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])[C:7]([C@:5]([C:4]([C:3]([S:2][C:1]([H:33])([H:34])[H:35])([H:31])[H:32])([H:29])[H:30])([N:6]([H:19])[H:20])[H:28])=[O:8].[H][O:18][H:36]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:19])[H:20])([C:7](=[O:8])[O:18][H:36])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])([H:34])[H:35]
Derived Operators
EVODEX.1-F436 - Elemental Balance
| O | -3 |
| C | -4 |
| N | -2 |
| H | -8 |
EVODEX.1-M79 - Mass Difference
-132.05354
EVODEX.1-E1243 - Reaction Operator E
[#6:3]-[#6:4](=[#8:5])-[#7](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])(-[H])-[H])-[H].[#8:18](-[H:32])-[H]>>[#6:3]-[#6:4](=[#8:5])-[#8:18]-[H:32]
EVODEX.1-C562 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:15].[H]-[#8:30]>>[#6:15]-[#8:30]
EVODEX.1-N715 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:15](-[#6:14])=[#8:16].[H]-[#8:30]-[H:53]>>[#6:14]-[#6:15](=[#8:16])-[#8:30]-[H:53]
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-R5437
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:19])[H:20])([C:7](=[O:8])[N:9]([C:10]([C:11](=[O:12])[N:13]([C:14]([C:15](=[O:16])[O:17][H:21])([H:22])[H:23])[H:24])([H:25])[H:26])[H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])([H:34])[H:35].[H][O:18][H:36]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:19])[H:20])([C:7](=[O:8])[O:18][H:36])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])([H:34])[H:35].[H][N:9]([C:10]([C:11](=[O:12])[N:13]([C:14]([C:15](=[O:16])[O:17][H:21])([H:22])[H:23])[H:24])([H:25])[H:26])[H:27]