SMIRKS
[H]N([H])[C@@:4]([H])([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])[C:6](=[O:7])[O:8][H:20].[H]OC(=O)C(C([H])([H])C(=O)N([H])[H])=[O:14]>>[C:1]([C:2]([C:3]([C:4]([C:6](=[O:7])[O:8][H:20])=[O:14])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28]
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-R3553
[H][C@@:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([N:5]([H:18])[H:19])[C:6](=[O:7])[O:8][H:20].[N:9]([C:10](=[O:11])[C:12]([C:13](=[O:14])[C:15](=[O:16])[O:17][H:29])([H:30])[H:31])([H:32])[H:33]>>[C:1]([C:2]([C:3]([C:4]([C:6](=[O:7])[O:8][H:20])=[O:14])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][C@:13]([N:5]([H:18])[H:19])([C:12]([C:10]([N:9]([H:32])[H:33])=[O:11])([H:30])[H:31])[C:15](=[O:16])[O:17][H:29]