SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:19]([C@@:17]([N:16]([C:14]([C@:2]([C:1]([H:59])([H:60])[H:61])([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:32]):[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]:1[H:36])([H:37])[H:38])[H:39])[H:58])=[O:15])[H:57])([C:18]([H:40])([H:41])[H:42])[H:56])=[O:20])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H].[H][O:31][H:62]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:32]):[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]:1[H:36])([H:37])[H:38])[H:39])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([H:40])([H:41])[H:42])([C:19](=[O:20])[O:31][H:62])[H:56])[H:57])[H:58])([H:59])([H:60])[H:61]
Derived Operators
EVODEX.1-F266 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -2 |
| H | -14 |
EVODEX.1-M139 - Mass Difference
-146.10562000000002
EVODEX.1-E1006 - Reaction Operator E
[#7](-[#6](-[#6](-[#6](-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#8:19](-[H:38])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8:19]-[H:38]
EVODEX.1-C577 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H].[H]-[#8:24]>>[#6:12]-[#8:24]
EVODEX.1-N733 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12](-[#6:11])=[#8:13])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H].[H]-[#8:24]-[H:61]>>[#6:11]-[#6:12](=[#8:13])-[#8:24]-[H:61]
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-R5705
[C:1]([C@:2]([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:32]):[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]:1[H:36])([H:37])[H:38])[H:39])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([H:40])([H:41])[H:42])([C:19](=[O:20])[N:21]([C@@:22]([C:23]([C:24]([C:25]([C:26]([N:27]([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([C:28](=[O:29])[O:30][H:53])[H:54])[H:55])[H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[H][O:31][H:62]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[O:6][C:7]([C:8]1:[C:9]([H:32]):[C:10]([H:33]):[C:11]([H:34]):[C:12]([H:35]):[C:13]:1[H:36])([H:37])[H:38])[H:39])([C:14](=[O:15])[N:16]([C@@:17]([C:18]([H:40])([H:41])[H:42])([C:19](=[O:20])[O:31][H:62])[H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[H][N:21]([C@@:22]([C:23]([C:24]([C:25]([C:26]([N:27]([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([C:28](=[O:29])[O:30][H:53])[H:54])[H:55]