SMIRKS
[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:21](=[O:22])[C@@:23]([N:24]([H:45])[H:46])([C:25]([C:26]3:[C:27]([H:47]):[C:28]([H:48]):[C:29]([H:49]):[C:30]([H:50]):[C:31]:3[H:51])([H:52])[H:53])[H:54])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[C:21](=[O:22])[C@@:23]([N:24]([H:45])[H:46])([C:25]([C:26]1:[C:27]([H:47]):[C:28]([H:48]):[C:29]([H:49]):[C:30]([H:50]):[C:31]:1[H:51])([H:52])[H:53])[H:54]
Derived Operators
EVODEX.1-F495 - Elemental Balance
| O | -3 |
| C | -16 |
| N | -3 |
| H | -15 |
EVODEX.1-M469 - Mass Difference
-297.11145000000005
EVODEX.1-E1314 - 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]>>[#6:6](-[#6@:4])(=[#8:7])-[#8]-[H]
EVODEX.1-C591 - 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]-[#6:6]
EVODEX.1-N747 - 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]-[#6:6](-[#6@:4])=[#8:7]
EVODEX.1-Em53 - Reaction Operator Em
[#6]-[#7](-[#6:2](-[#6:1])=[#8:3])-[#6]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3]
EVODEX.1-Nm60 - Reaction Operator Nm
[#6]-[#7](-[#6:2](-[#6:1])=[#8:3])-[#6]>>[H]-[#8]-[#6:2](-[#6:1])=[#8:3]
Source Full Reactions
EVODEX.1-R5565
[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:36]):[C:7](=[O:8]):[O:9]:[C:10]2:[C:11]([H:37]):[C:12]([N:13]([C:14](=[O:15])[C@:16]3([H:38])[C:17]([H:39])([H:40])[C:18]([H:41])([H:42])[C:19]([H:43])([H:44])[N:20]3[C:21](=[O:22])[C@@:23]([N:24]([H:45])[H:46])([C:25]([C:26]3:[C:27]([H:47]):[C:28]([H:48]):[C:29]([H:49]):[C:30]([H:50]):[C:31]:3[H:51])([H:52])[H:53])[H:54])[H:55]):[C:32]([H:56]):[C:33]([H:57]):[C:34]:1:2)([H:58])[H:59])([H:60])[H:61].[H][O:35][H:62]>>[C:21](=[O:22])([C@@:23]([N:24]([H:45])[H:46])([C:25]([C:26]1:[C:27]([H:47]):[C:28]([H:48]):[C:29]([H:49]):[C:30]([H:50]):[C:31]:1[H:51])([H:52])[H:53])[H:54])[O:35][H:62].[H][N:20]1[C@@:16]([C:14]([N:13]([C:12]2:[C:11]([H:37]):[C:10]3:[O:9]:[C:7](=[O:8]):[C:6]([H:36]):[C:5]([C:4]([C:2]([N:1]([H:60])[H:61])=[O:3])([H:58])[H:59]):[C:34]:3:[C:33]([H:57]):[C:32]:2[H:56])[H:55])=[O:15])([H:38])[C:17]([H:39])([H:40])[C:18]([H:41])([H:42])[C:19]1([H:43])[H:44]