SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:12]1[C:13]([H:25])([H:26])[C:14]([H:27])([H:28])[C:15]([H:29])([H:30])[C@:16]1([C:17](=[O:18])[O:19][H:31])[H:32])N([H])[H]>>[H][N:12]1[C:13]([H:25])([H:26])[C:14]([H:27])([H:28])[C:15]([H:29])([H:30])[C@:16]1([C:17](=[O:18])[O:19][H:31])[H:32]
Derived Operators
EVODEX.1-F468 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -4 |
| H | -12 |
EVODEX.1-M80 - Mass Difference
-156.10126
EVODEX.1-E1280 - Reaction Operator E
[#7](=[#6](-[#7](-[H])-[H])-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:12](-[#6:13])-[#6@:16])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H]>>[#7:12](-[H])(-[#6:13])-[#6@:16]
EVODEX.1-C132 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12])-[#7](-[H])-[H]>>[H]-[#7:12]
EVODEX.1-N731 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12](-[#6:13])-[#6@:16])-[#7](-[H])-[H]>>[H]-[#7:12](-[#6:13])-[#6@:16]
EVODEX.1-Em127 - Reaction Operator Em
[#6]-[#6](=[#8])-[#7:5](-[#6:6])-[#6:9]>>[H]-[#7:5](-[#6:6])-[#6:9]
EVODEX.1-Nm161 - Reaction Operator Nm
[#6]-[#6](=[#8])-[#7:5](-[#6:6])-[#6:9]>>[H]-[#7:5](-[#6:6])-[#6:9]
Source Full Reactions
EVODEX.1-R5556
[N:1](=[C:2]([N:3]([H:21])[H:22])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:23])[H:24])([C:10](=[O:11])[N:12]1[C:13]([H:25])([H:26])[C:14]([H:27])([H:28])[C:15]([H:29])([H:30])[C@:16]1([C:17](=[O:18])[O:19][H:31])[H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])[H:41].[H][O:20][H:42]>>[H][N:12]1[C:13]([H:25])([H:26])[C:14]([H:27])([H:28])[C:15]([H:29])([H:30])[C@:16]1([C:17](=[O:18])[O:19][H:31])[H:32].[N:1](=[C:2]([N:3]([H:21])[H:22])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:23])[H:24])([C:10](=[O:11])[O:20][H:42])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])[H:40])[H:41]