SMIRKS
[H]N([H])[C@@:9]([H])([C:8]([C:7]([C:6]([C:5]([N:4]([C:2]([C:1]([H:37])([H:38])[H:39])=[O:3])[H:36])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])[C:11](=[O:12])[O:13][H:26].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:20]>>[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:11](=[O:12])[O:13][H:26])=[O:20])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36])([H:37])([H:38])[H:39]
Derived Operators
EVODEX.1-F279 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M36 - Mass Difference
-147.05317
EVODEX.1-C84 - Reaction Operator C
[H]-[#7](-[H])-[#6:13]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:23]>>[#6:13]=[#8:23]
EVODEX.1-N90 - Reaction Operator N
[H]-[#7](-[H])-[#6@:2](-[H])(-[#6:1])-[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:16]>>[#6:1]-[#6:2](-[#6:4])=[#8:16]
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-R3663
[H][C@@:9]([C:8]([C:7]([C:6]([C:5]([N:4]([C:2]([C:1]([H:37])([H:38])[H:39])=[O:3])[H:36])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([N:10]([H:24])[H:25])[C:11](=[O:12])[O:13][H:26].[O:14]=[C:15]([O:16][H:40])[C:17]([C:18]([C:19](=[O:20])[C:21](=[O:22])[O:23][H:41])([H:42])[H:43])([H:44])[H:45]>>[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:11](=[O:12])[O:13][H:26])=[O:20])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:36])([H:37])([H:38])[H:39].[H][C@:19]([N:10]([H:24])[H:25])([C:18]([C:17]([C:15](=[O:14])[O:16][H:40])([H:44])[H:45])([H:42])[H:43])[C:21](=[O:22])[O:23][H:41]