SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:22]([C@:5]([C:4]([C:2]([C:1]([H:67])([H:68])[H:69])([C:3]([H:36])([H:37])[H:38])[H:66])([H:64])[H:65])([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:39])([H:40])[H:41])([N:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:42]):[C:18]([H:43]):[C:19]([H:44]):[C:20]([H:45]):[C:21]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:63])=[O:23])C([H])([H])[H])C([H])([H])[H]>>[H]O[C:22]([C@:5]([C:4]([C:2]([C:1]([H:67])([H:68])[H:69])([C:3]([H:36])([H:37])[H:38])[H:66])([H:64])[H:65])([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:39])([H:40])[H:41])([N:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:42]):[C:18]([H:43]):[C:19]([H:44]):[C:20]([H:45]):[C:21]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:63])=[O:23]
Derived Operators
EVODEX.1-F483 - Elemental Balance
| C | -6 |
| O | -2 |
| N | -2 |
| H | -10 |
EVODEX.1-M460 - Mass Difference
-142.07430000000002
EVODEX.1-E1299 - Reaction Operator E
[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[H])(-[H])-[H])(-[#7](-[#6:9](=[#8:10])-[#6@:11])-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#6:9](=[#8:10])(-[#6@:11])-[#8]-[H]
EVODEX.1-C565 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:25])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:25]
EVODEX.1-N718 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:25](-[#6@:5])=[#8:26])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:25](-[#6@:5])=[#8:26]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6105
[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:39])([H:40])[H:41])([N:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:42]):[C:18]([H:43]):[C:19]([H:44]):[C:20]([H:45]):[C:21]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])([C:22](=[O:23])[N:24]([C@@:25]([C:26]([H:52])([H:53])[H:54])([C:27](=[O:28])[N:29]([C@@:30]([C:31]([H:55])([H:56])[H:57])([C:32](=[O:33])[O:34][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:35][H:70]>>[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:39])([H:40])[H:41])([N:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:42]):[C:18]([H:43]):[C:19]([H:44]):[C:20]([H:45]):[C:21]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])([C:22](=[O:23])[O:35][H:70])[H:63])([H:64])[H:65])[H:66])([H:67])([H:68])[H:69].[H][N:24]([C@@:25]([C:26]([H:52])([H:53])[H:54])([C:27](=[O:28])[N:29]([C@@:30]([C:31]([H:55])([H:56])[H:57])([C:32](=[O:33])[O:34][H:58])[H:59])[H:60])[H:61])[H:62]