SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:4]([C@:2]([C:1]([H:35])([H:36])[H:37])([N:3]([H:19])[H:20])[H:34])=[O:5]>>[H]O[C:4]([C@:2]([C:1]([H:35])([H:36])[H:37])([N:3]([H:19])[H:20])[H:34])=[O:5]
Derived Operators
EVODEX.1-F468 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -4 |
| H | -12 |
EVODEX.1-M80 - Mass Difference
-156.10126
EVODEX.1-E1281 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8]-[H]
EVODEX.1-C573 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:10]>>[H]-[#8]-[#6:10]
EVODEX.1-N728 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:10](=[#8:11])-[#6@:12]>>[H]-[#8]-[#6:10](=[#8:11])-[#6@:12]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5584
[C:1]([C@:2]([N:3]([H:19])[H:20])([C:4](=[O:5])[N:6]([C@@:7]([C:8]([C:9]([C:10]([N:11]([C:12](=[N:13][H:21])[N:14]([H:22])[H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([C:15](=[O:16])[O:17][H:31])[H:32])[H:33])[H:34])([H:35])([H:36])[H:37].[H][O:18][H:38]>>[C:1]([C@:2]([N:3]([H:19])[H:20])([C:4](=[O:5])[O:18][H:38])[H:34])([H:35])([H:36])[H:37].[H][N:6]([C@@:7]([C:8]([C:9]([C:10]([N:11]([C:12](=[N:13][H:21])[N:14]([H:22])[H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([C:15](=[O:16])[O:17][H:31])[H:32])[H:33]