SMIRKS
[H]N([H])[C@@:2]([H])([C:3]([C:4]1:[C:5]([H:34]):[C:6]([I:7]):[C:8]([O:9][C:10]2:[C:11]([H:35]):[C:12]([H:36]):[C:13]([O:14][H:37]):[C:15]([I:16]):[C:17]:2[H:38]):[C:18]([I:19]):[C:20]:1[H:39])([H:40])[H:41])[C:21](=[O:22])[O:23][H:42].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:30]>>[C:2]([C:3]([C:4]1:[C:5]([H:34]):[C:6]([I:7]):[C:8]([O:9][C:10]2:[C:11]([H:35]):[C:12]([H:36]):[C:13]([O:14][H:37]):[C:15]([I:16]):[C:17]:2[H:38]):[C:18]([I:19]):[C:20]:1[H:39])([H:40])[H:41])([C:21](=[O:22])[O:23][H:42])=[O:30]
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-R3619
[H][C@:2]([N:1]([H:44])[H:45])([C:3]([C:4]1:[C:5]([H:34]):[C:6]([I:7]):[C:8]([O:9][C:10]2:[C:11]([H:35]):[C:12]([H:36]):[C:13]([O:14][H:37]):[C:15]([I:16]):[C:17]:2[H:38]):[C:18]([I:19]):[C:20]:1[H:39])([H:40])[H:41])[C:21](=[O:22])[O:23][H:42].[O:24]=[C:25]([O:26][H:46])[C:27]([C:28]([C:29](=[O:30])[C:31](=[O:32])[O:33][H:47])([H:48])[H:49])([H:50])[H:51]>>[C:2]([C:3]([C:4]1:[C:5]([H:34]):[C:6]([I:7]):[C:8]([O:9][C:10]2:[C:11]([H:35]):[C:12]([H:36]):[C:13]([O:14][H:37]):[C:15]([I:16]):[C:17]:2[H:38]):[C:18]([I:19]):[C:20]:1[H:39])([H:40])[H:41])([C:21](=[O:22])[O:23][H:42])=[O:30].[H][C@:29]([N:1]([H:44])[H:45])([C:28]([C:27]([C:25](=[O:24])[O:26][H:46])([H:50])[H:51])([H:48])[H:49])[C:31](=[O:32])[O:33][H:47]