SMIRKS
[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:3]([C:2]([N:1]([H:47])[H:48])([H:45])[H:46])=[O:4])C([H])([H])C([H])([H])C2([H])[H]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:28][H:49]>>[N:1]([C:2]([C:3](=[O:4])[O:28][H:49])([H:45])[H:46])([H:47])[H:48]
Derived Operators
EVODEX.1-F494 - Elemental Balance
| O | -4 |
| C | -16 |
| N | -3 |
| H | -17 |
EVODEX.1-M468 - Mass Difference
-315.12201
EVODEX.1-E1313 - Reaction Operator E
[#6:6](-[#6@:4])(=[#8:7])-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@]-1(-[#6](=[#8])-[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H])-[H])-[H].[#8:31](-[H:58])-[H]>>[#6:6](-[#6@:4])(=[#8:7])-[#8:31]-[H:58]
EVODEX.1-C590 - Reaction Operator C
[H]-[#6]1:[#6](-[#7](-[H])-[#6](=[#8])-[#6@@]2(-[H])-[#7](-[#6:6])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-2(-[H])-[H]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]):[#6]:2:[#6]:1-[H].[H]-[#8:31]>>[#6:6]-[#8:31]
EVODEX.1-N746 - Reaction Operator N
[H]-[#6]1:[#6](-[#7](-[H])-[#6](=[#8])-[#6@@]2(-[H])-[#7](-[#6:6](-[#6@:4])=[#8:7])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-2(-[H])-[H]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]):[#6]:2:[#6]:1-[H].[H]-[#8:31]-[H:58]>>[#6:6](-[#6@:4])(=[#8:7])-[#8:31]-[H:58]
EVODEX.1-Em52 - Reaction Operator Em
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
EVODEX.1-Nm59 - Reaction Operator Nm
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
Source Full Reactions
EVODEX.1-R5562
[N:1]([C:2]([C:3](=[O:4])[N:5]1[C:6]([H:29])([H:30])[C:7]([H:31])([H:32])[C:8]([H:33])([H:34])[C@:9]1([C:10](=[O:11])[N:12]([C:13]1:[C:14]([H:35]):[C:15]([H:36]):[C:16]2:[C:17]([C:18]([C:19]([N:20]([H:37])[H:38])=[O:21])([H:39])[H:40]):[C:22]([H:41]):[C:23](=[O:24]):[O:25]:[C:26]:2:[C:27]:1[H:42])[H:43])[H:44])([H:45])[H:46])([H:47])[H:48].[H][O:28][H:49]>>[N:1]([C:2]([C:3](=[O:4])[O:28][H:49])([H:45])[H:46])([H:47])[H:48].[H][N:5]1[C:6]([H:29])([H:30])[C:7]([H:31])([H:32])[C:8]([H:33])([H:34])[C@:9]1([C:10](=[O:11])[N:12]([C:13]1:[C:14]([H:35]):[C:15]([H:36]):[C:16]2:[C:17]([C:18]([C:19]([N:20]([H:37])[H:38])=[O:21])([H:39])[H:40]):[C:22]([H:41]):[C:23](=[O:24]):[O:25]:[C:26]:2:[C:27]:1[H:42])[H:43])[H:44]