SMIRKS
[H]N([H])[C:2]([H])([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[C:9](=[O:10])[O:11][H:29].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:18]>>[C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([C:9](=[O:10])[O:11][H:29])=[O:18]
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-R3512
[H][C:2]([N:1]([H:31])[H:32])([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[C:9](=[O:10])[O:11][H:29].[O:12]=[C:13]([O:14][H:33])[C:15]([C:16]([C:17](=[O:18])[C:19](=[O:20])[O:21][H:34])([H:35])[H:36])([H:37])[H:38]>>[C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([C:9](=[O:10])[O:11][H:29])=[O:18].[H][C@:17]([N:1]([H:31])[H:32])([C:16]([C:15]([C:13](=[O:12])[O:14][H:33])([H:37])[H:38])([H:35])[H:36])[C:19](=[O:20])[O:21][H:34]