SMIRKS
[H]N([H])[C@@:11]([H])([C:12]([C:13]([O:14][H:18])([H:19])[H:20])([H:21])[H:22])[C:15](=[O:16])[O:17][H:23].[H]OC(=O)C(C([H])([H])C(=O)N([H])[H])=[O:6]>>[O:6]=[C:11]([C:12]([C:13]([O:14][H:18])([H:19])[H:20])([H:21])[H:22])[C:15](=[O:16])[O:17][H:23]
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-R3561
[H][C@:11]([N:10]([H:25])[H:26])([C:12]([C:13]([O:14][H:18])([H:19])[H:20])([H:21])[H:22])[C:15](=[O:16])[O:17][H:23].[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:27])([H:28])[H:29])([H:30])[H:31]>>[H][C@:5]([C:4]([C:2]([N:1]([H:30])[H:31])=[O:3])([H:28])[H:29])([C:7](=[O:8])[O:9][H:27])[N:10]([H:25])[H:26].[O:6]=[C:11]([C:12]([C:13]([O:14][H:18])([H:19])[H:20])([H:21])[H:22])[C:15](=[O:16])[O:17][H:23]