SMIRKS
[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:21](=[O:22])[C@@:23]([N:24]([H:42])[H:43])([C:25]([C:26]([N:27]([H:44])[H:45])=[O:28])([H:46])[H:47])[H:48])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:32][H:56]>>[C:21](=[O:22])([C@@:23]([N:24]([H:42])[H:43])([C:25]([C:26]([N:27]([H:44])[H:45])=[O:28])([H:46])[H:47])[H:48])[O:32][H:56]
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-R5564
[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:33]):[C:7](=[O:8]):[O:9]:[C:10]2:[C:11]([H:34]):[C:12]([N:13]([C:14](=[O:15])[C@:16]3([H:35])[C:17]([H:36])([H:37])[C:18]([H:38])([H:39])[C:19]([H:40])([H:41])[N:20]3[C:21](=[O:22])[C@@:23]([N:24]([H:42])[H:43])([C:25]([C:26]([N:27]([H:44])[H:45])=[O:28])([H:46])[H:47])[H:48])[H:49]):[C:29]([H:50]):[C:30]([H:51]):[C:31]:1:2)([H:52])[H:53])([H:54])[H:55].[H][O:32][H:56]>>[C:21](=[O:22])([C@@:23]([N:24]([H:42])[H:43])([C:25]([C:26]([N:27]([H:44])[H:45])=[O:28])([H:46])[H:47])[H:48])[O:32][H:56].[H][N:20]1[C@@:16]([C:14]([N:13]([C:12]2:[C:11]([H:34]):[C:10]3:[O:9]:[C:7](=[O:8]):[C:6]([H:33]):[C:5]([C:4]([C:2]([N:1]([H:54])[H:55])=[O:3])([H:52])[H:53]):[C:31]:3:[C:30]([H:51]):[C:29]:2[H:50])[H:49])=[O:15])([H:35])[C:17]([H:36])([H:37])[C:18]([H:38])([H:39])[C:19]1([H:40])[H:41]