SMIRKS
[H]OC(=O)C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C:9]([C@@:10]([N:11]([H:36])[H:37])([C:12]([C:13]([C:14]([H:38])([H:39])[H:40])([C:15]([H:41])([H:42])[H:43])[H:44])([H:45])[H:46])[H:47])([H:48])[H:49])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H].[H][O:32][H:70]>>[C:7](=[O:8])([C:9]([C@@:10]([N:11]([H:36])[H:37])([C:12]([C:13]([C:14]([H:38])([H:39])[H:40])([C:15]([H:41])([H:42])[H:43])[H:44])([H:45])[H:46])[H:47])([H:48])[H:49])[O:32][H:70]
Derived Operators
EVODEX.1-F488 - Elemental Balance
| O | -4 |
| C | -16 |
| N | -2 |
| H | -24 |
EVODEX.1-M464 - Mass Difference
-308.17372
EVODEX.1-E1305 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6:7](=[#8:8])-[#6:9])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:31](-[H:67])-[H]>>[#6:7](=[#8:8])(-[#6:9])-[#8:31]-[H:67]
EVODEX.1-C584 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:30]>>[#6:7]-[#8:30]
EVODEX.1-N740 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6:9])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:30]-[H:62]>>[#6:7](=[#8:8])(-[#6:9])-[#8:30]-[H:62]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5544
[C:1]([C:2]([C:3]([C:4]([H:33])([H:34])[H:35])([C@:5]([N:6]([C:7](=[O:8])[C:9]([C@@:10]([N:11]([H:36])[H:37])([C:12]([C:13]([C:14]([H:38])([H:39])[H:40])([C:15]([H:41])([H:42])[H:43])[H:44])([H:45])[H:46])[H:47])([H:48])[H:49])[H:50])([C:16](=[O:17])[N:18]([C@:19]([C:20]([C:21](=[O:22])[O:23][H:51])([H:52])[H:53])([C:24]([C:25]1:[C:26]([H:54]):[C:27]([H:55]):[C:28]([O:29][H:56]):[C:30]([H:57]):[C:31]:1[H:58])([H:59])[H:60])[H:61])[H:62])[H:63])[H:64])([H:65])[H:66])([H:67])([H:68])[H:69].[H][O:32][H:70]>>[C:7](=[O:8])([C:9]([C@@:10]([N:11]([H:36])[H:37])([C:12]([C:13]([C:14]([H:38])([H:39])[H:40])([C:15]([H:41])([H:42])[H:43])[H:44])([H:45])[H:46])[H:47])([H:48])[H:49])[O:32][H:70].[H][N:6]([C@@:5]([C:3]([C:2]([C:1]([H:67])([H:68])[H:69])([H:65])[H:66])([C:4]([H:33])([H:34])[H:35])[H:64])([C:16](=[O:17])[N:18]([C@:19]([C:20]([C:21](=[O:22])[O:23][H:51])([H:52])[H:53])([C:24]([C:25]1:[C:26]([H:54]):[C:27]([H:55]):[C:28]([O:29][H:56]):[C:30]([H:57]):[C:31]:1[H:58])([H:59])[H:60])[H:61])[H:62])[H:63])[H:50]