SMIRKS
[H]C([H])([H])O[C:16](=[O:17])[C@:18]([C:19]([C:20]([C:21](=[O:22])[O:23][H:35])([H:36])[H:37])([H:38])[H:39])([N:24]([C:25](=[O:26])[O:27][C:28]([C:29]1:[C:30]([H:40]):[C:31]([H:41]):[C:32]([H:42]):[C:33]([H:43]):[C:34]:1[H:44])([H:45])[H:46])[H:47])[H:48].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:65])([H:66])[H:67])([C:3]([H:52])([H:53])[H:54])[H:64])([H:62])[H:63])([C:7](=[O:8])[N:9]([C:10]([C:11](=[O:12])[O:13][H:57])([H:58])[H:59])[H:60])[H:61])[H:55]>>[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])([C:4]([C@:5]([N:6]([C:16](=[O:17])[C@:18]([C:19]([C:20]([C:21](=[O:22])[O:23][H:35])([H:36])[H:37])([H:38])[H:39])([N:24]([C:25](=[O:26])[O:27][C:28]([C:29]1:[C:30]([H:40]):[C:31]([H:41]):[C:32]([H:42]):[C:33]([H:43]):[C:34]:1[H:44])([H:45])[H:46])[H:47])[H:48])[H:55])([C:7](=[O:8])[N:9]([C:10]([C:11](=[O:12])[O:13][H:57])([H:58])[H:59])[H:60])[H:61])([H:62])[H:63])[H:64])([H:65])([H:66])[H:67]
Derived Operators
EVODEX.1-F406 - Elemental Balance
| O | -1 |
| C | -1 |
| H | -4 |
EVODEX.1-M158 - Mass Difference
-32.02622
EVODEX.1-E1211 - Reaction Operator E
[#6](-[#8]-[#6:16](=[#8:17])-[#6@:18])(-[H])(-[H])-[H].[#6:12]-[#7:13](-[H:42])-[H]>>[#6:12]-[#7:13](-[#6:16](=[#8:17])-[#6@:18])-[H:42]
EVODEX.1-C1126 - Reaction Operator C
[H]-[#6](-[H])(-[H])-[#8]-[#6:16].[H]-[#7:6]-[#6@@:5]>>[#7:6](-[#6@:5])-[#6:16]
EVODEX.1-N1393 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#8]-[#6:16](=[#8:17])-[#6@:18].[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:7])-[H:61])-[H:55]>>[#6:4]-[#6@:5](-[#7:6](-[#6:16](=[#8:17])-[#6@:18])-[H:55])(-[#6:7])-[H:61]
EVODEX.1-Em49 - Reaction Operator Em
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#7:23]-[#6:24]>>[#6:4](=[#8:5])(-[#6:6])-[#7:23]-[#6:24]
EVODEX.1-Nm58 - Reaction Operator Nm
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#7:23]-[#6:24]>>[#6:4](=[#8:5])(-[#6:6])-[#7:23]-[#6:24]
Source Full Reactions
EVODEX.1-R5789
[C:14]([O:15][C:16](=[O:17])[C@:18]([C:19]([C:20]([C:21](=[O:22])[O:23][H:35])([H:36])[H:37])([H:38])[H:39])([N:24]([C:25](=[O:26])[O:27][C:28]([C:29]1:[C:30]([H:40]):[C:31]([H:41]):[C:32]([H:42]):[C:33]([H:43]):[C:34]:1[H:44])([H:45])[H:46])[H:47])[H:48])([H:49])([H:50])[H:51].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:65])([H:66])[H:67])([C:3]([H:52])([H:53])[H:54])[H:64])([H:62])[H:63])([C:7](=[O:8])[N:9]([C:10]([C:11](=[O:12])[O:13][H:57])([H:58])[H:59])[H:60])[H:61])[H:55]>>[H][O:15][C:14]([H:49])([H:50])[H:51].[C:1]([C:2]([C:3]([H:52])([H:53])[H:54])([C:4]([C@:5]([N:6]([C:16](=[O:17])[C@:18]([C:19]([C:20]([C:21](=[O:22])[O:23][H:35])([H:36])[H:37])([H:38])[H:39])([N:24]([C:25](=[O:26])[O:27][C:28]([C:29]1:[C:30]([H:40]):[C:31]([H:41]):[C:32]([H:42]):[C:33]([H:43]):[C:34]:1[H:44])([H:45])[H:46])[H:47])[H:48])[H:55])([C:7](=[O:8])[N:9]([C:10]([C:11](=[O:12])[O:13][H:57])([H:58])[H:59])[H:60])[H:61])([H:62])[H:63])[H:64])([H:65])([H:66])[H:67]