SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[C:19](=[O:20])[C@:21]([C:22]([H:40])([H:41])[H:42])([N:23]([H:43])[H:44])[H:45])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:27][H:60]>>[C:19](=[O:20])([C@:21]([C:22]([H:40])([H:41])[H:42])([N:23]([H:43])[H:44])[H:45])[O:27][H:60]
Derived Operators
EVODEX.1-F523 - Elemental Balance
| O | -4 |
| C | -14 |
| N | -3 |
| H | -27 |
EVODEX.1-M169 - Mass Difference
-301.20031
EVODEX.1-E1341 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6:19](=[#8:20])-[#6@:21])-[H])-[H])-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:62](-[H:130])-[H]>>[#6:19](=[#8:20])(-[#6@:21])-[#8:62]-[H:130]
EVODEX.1-C647 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:19])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:63]>>[#6:19]-[#8:63]
EVODEX.1-N802 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:19](=[#8:20])-[#6@:21])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:63]-[H:135]>>[#6:19](=[#8:20])(-[#6@:21])-[#8:63]-[H:135]
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-R5912
[C:1]([C:2]([C:3]([H:28])([H:29])[H:30])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:31])([H:32])[H:33])([C:17]([H:34])([H:35])[H:36])[H:37])([H:38])[H:39])([N:18]([C:19](=[O:20])[C@:21]([C:22]([H:40])([H:41])[H:42])([N:23]([H:43])[H:44])[H:45])[H:46])[H:47])[H:48])([H:49])[H:50])[H:51])([C:24](=[O:25])[O:26][H:52])[H:53])([H:54])[H:55])[H:56])([H:57])([H:58])[H:59].[H][O:27][H:60]>>[C:19](=[O:20])([C@:21]([C:22]([H:40])([H:41])[H:42])([N:23]([H:43])[H:44])[H:45])[O:27][H:60].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:57])([H:58])[H:59])([C:3]([H:28])([H:29])[H:30])[H:56])([H:54])[H:55])([C:24](=[O:25])[O:26][H:52])[H:53])[H:51])=[O:8])([H:49])[H:50])[H:48])=[O:12])([C:14]([C:15]([C:16]([H:31])([H:32])[H:33])([C:17]([H:34])([H:35])[H:36])[H:37])([H:38])[H:39])[H:47])[H:46]