SMIRKS
[H][C:2]([N:1]([H:46])[H:47])([C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:30]):[C:13]([H:31]):[C:14]([H:32]):[C:15]([H:33]):[C:16]:1[H:34])([H:35])[H:36])[H:37])([C:17](=[O:18])[O:19][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[H:44]>>O=[C:2]([C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:30]):[C:13]([H:31]):[C:14]([H:32]):[C:15]([H:33]):[C:16]:1[H:34])([H:35])[H:36])[H:37])([C:17](=[O:18])[O:19][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[H:44].[H]OC(=O)C([H])([H])C([H])([H])C([H])(C(=O)O[H])[N:1]([H:46])[H:47]
Derived Operators
EVODEX.1-F60 - Elemental Balance
| O | 5 |
| C | 5 |
| H | 6 |
EVODEX.1-M58 - Mass Difference
146.02147999999997
EVODEX.1-E595 - Reaction Operator E
[#6:20](-[#6@@:19])(-[#7:21](-[H:61])-[H:62])(-[H:63])-[H]>>[#6:20](-[#6@@:19])(=[#8])-[H:63].[#7:21](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:61])-[H:62]
EVODEX.1-C65 - Reaction Operator C
[H]-[#6@@:39]-[#7:40]>>[#8]=[#6:39].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:40]
EVODEX.1-N511 - Reaction Operator N
[H]-[#6:2](-[#7:1](-[H:46])-[H:47])(-[#6:3])-[H:44]>>[#8]=[#6:2](-[#6:3])-[H:44].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[H:46])-[H:47]
EVODEX.1-Em108 - Reaction Operator Em
[H]-[#6:8](-[#7:7])-[#6:9]>>[#6]-[#6](-[H])(-[#6])-[#7:7].[#8]=[#6:8]-[#6:9]
EVODEX.1-Nm141 - Reaction Operator Nm
[H]-[#6:8](-[#7:7])-[#6:9]>>[#6]-[#6](-[H])(-[#6])-[#7:7].[#8]=[#6:8]-[#6:9]
Source Full Reactions
EVODEX.1-R3662
[H][C:2]([N:1]([H:46])[H:47])([C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:30]):[C:13]([H:31]):[C:14]([H:32]):[C:15]([H:33]):[C:16]:1[H:34])([H:35])[H:36])[H:37])([C:17](=[O:18])[O:19][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[H:44].[O:20]=[C:21]([O:22][H:48])[C:23]([C:24]([C:25](=[O:26])[C:27](=[O:28])[O:29][H:49])([H:50])[H:51])([H:52])[H:53]>>[C:2]([C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:30]):[C:13]([H:31]):[C:14]([H:32]):[C:15]([H:33]):[C:16]:1[H:34])([H:35])[H:36])[H:37])([C:17](=[O:18])[O:19][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])(=[O:26])[H:44].[H][C:25]([N:1]([H:46])[H:47])([C:24]([C:23]([C:21](=[O:20])[O:22][H:48])([H:52])[H:53])([H:50])[H:51])[C:27](=[O:28])[O:29][H:49]