SMIRKS
[H]N([H])[C@@:8]([H])([C:7]([C:6]([C:5]([N:4]([C:2]([C:1]([H:34])([H:35])[H:36])=[O:3])[H:33])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])[C:10](=[O:11])[O:12][H:25].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:19]>>[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([C:7]([C:8]([C:10](=[O:11])[O:12][H:25])=[O:19])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])[H:33])([H:34])([H:35])[H:36]
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-R3664
[H][C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2]([C:1]([H:34])([H:35])[H:36])=[O:3])[H:33])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([N:9]([H:23])[H:24])[C:10](=[O:11])[O:12][H:25].[O:13]=[C:14]([O:15][H:37])[C:16]([C:17]([C:18](=[O:19])[C:20](=[O:21])[O:22][H:38])([H:39])[H:40])([H:41])[H:42]>>[C:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([C:7]([C:8]([C:10](=[O:11])[O:12][H:25])=[O:19])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])[H:33])([H:34])([H:35])[H:36].[H][C:18]([N:9]([H:23])[H:24])([C:17]([C:16]([C:14](=[O:13])[O:15][H:37])([H:41])[H:42])([H:39])[H:40])[C:20](=[O:21])[O:22][H:38]