SMIRKS
[H][C@@:10]([C:9]([C:8]1:[C:7]([H:30]):[N:6]([H:29]):[C:5]2:[C:4]([H:28]):[C:3]([H:27]):[C:2]([C:1]([H:38])([H:39])[H:40]):[C:16]([H:37]):[C:15]:2:1)([H:35])[H:36])([N:11]([H:31])[H:32])[C:12](=[O:13])[O:14][H:33]>>O=[C:10]([C:9]([C:8]1:[C:7]([H:30]):[N:6]([H:29]):[C:5]2:[C:4]([H:28]):[C:3]([H:27]):[C:2]([C:1]([H:38])([H:39])[H:40]):[C:16]([H:37]):[C:15]:2:1)([H:35])[H:36])[C:12](=[O:13])[O:14][H:33].[H]OC(=O)C([H])([H])C([H])([H])C([H])(C(=O)O[H])[N:11]([H:31])[H:32]
Derived Operators
EVODEX.1-F60 - Elemental Balance
| O | 5 |
| C | 5 |
| H | 6 |
EVODEX.1-M58 - Mass Difference
146.02147999999997
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-N51 - Reaction Operator N
[H]-[#6@@:39](-[#7:40](-[H:70])-[H:71])(-[#6@:5])-[#6@:37]>>[#8]=[#6:39](-[#6@:5])-[#6@:37].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:40](-[H:70])-[H:71]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3783
[H][C@@:10]([C:9]([C:8]1:[C:7]([H:30]):[N:6]([H:29]):[C:5]2:[C:4]([H:28]):[C:3]([H:27]):[C:2]([C:1]([H:38])([H:39])[H:40]):[C:16]([H:37]):[C:15]:2:1)([H:35])[H:36])([N:11]([H:31])[H:32])[C:12](=[O:13])[O:14][H:33].[O:17]=[C:18]([O:19][H:41])[C:20]([C:21]([C:22](=[O:23])[C:24](=[O:25])[O:26][H:42])([H:43])[H:44])([H:45])[H:46]>>[C:1]([C:2]1:[C:3]([H:27]):[C:4]([H:28]):[C:5]2:[N:6]([H:29]):[C:7]([H:30]):[C:8]([C:9]([C:10]([C:12](=[O:13])[O:14][H:33])=[O:23])([H:35])[H:36]):[C:15]:2:[C:16]:1[H:37])([H:38])([H:39])[H:40].[H][C:22]([N:11]([H:31])[H:32])([C:21]([C:20]([C:18](=[O:17])[O:19][H:41])([H:45])[H:46])([H:43])[H:44])[C:24](=[O:25])[O:26][H:42]