SMIRKS
[H][C@:2]([N:1]([H:35])[H:36])([C:3]([C:4]1:[C:5]([H:27]):[C:6]([H:28]):[C:7]([O:8][H:29]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:30])([H:31])[H:32])[C:14](=[O:15])[O:16][H:33]>>O=[C:2]([C:3]([C:4]1:[C:5]([H:27]):[C:6]([H:28]):[C:7]([O:8][H:29]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:30])([H:31])[H:32])[C:14](=[O:15])[O:16][H:33].[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:35])[H:36]
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-R3624
[H][C@:2]([N:1]([H:35])[H:36])([C:3]([C:4]1:[C:5]([H:27]):[C:6]([H:28]):[C:7]([O:8][H:29]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:30])([H:31])[H:32])[C:14](=[O:15])[O:16][H:33].[O:17]=[C:18]([O:19][H:37])[C:20]([C:21]([C:22](=[O:23])[C:24](=[O:25])[O:26][H:38])([H:39])[H:40])([H:41])[H:42]>>[C:2]([C:3]([C:4]1:[C:5]([H:27]):[C:6]([H:28]):[C:7]([O:8][H:29]):[C:9]([N+:10](=[O:11])[O-:12]):[C:13]:1[H:30])([H:31])[H:32])([C:14](=[O:15])[O:16][H:33])=[O:23].[H][C@:22]([N:1]([H:35])[H:36])([C:21]([C:20]([C:18](=[O:17])[O:19][H:37])([H:41])[H:42])([H:39])[H:40])[C:24](=[O:25])[O:26][H:38]