SMIRKS
[C:1]([C:2]([C:3]([H:30])([H:31])[H:32])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[O:19][C:20]([C:21]1:[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]:1[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[H:54])[H:55])([H:56])([H:57])[H:58]>>[H]C([H])([H])C([H])([H])O[C:12]([C@:5]([C:4]([C:2]([C:1]([H:56])([H:57])[H:58])([C:3]([H:30])([H:31])[H:32])[H:55])([H:53])[H:54])([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])[H:52])=[O:13].[H][N:14]([C:15]([C:16]([C:17](=[O:18])[O:19][C:20]([C:21]1:[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]:1[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51]
Derived Operators
EVODEX.1-F67 - Elemental Balance
| O | 1 |
| C | 2 |
| H | 6 |
EVODEX.1-M215 - Mass Difference
46.04188
EVODEX.1-E613 - Reaction Operator E
[#6:15]-[#7:16](-[#6:17](=[#8:18])-[#6@:19])-[H:59]>>[#6](-[#6](-[#8]-[#6:17](=[#8:18])-[#6@:19])(-[H])-[H])(-[H])(-[H])-[H].[#6:15]-[#7:16](-[H:59])-[H]
EVODEX.1-C912 - Reaction Operator C
[#7:11]-[#6:12]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:12].[H]-[#7:11]
EVODEX.1-N1143 - Reaction Operator N
[#6:10]-[#7:11](-[#6:12](=[#8:13])-[#6@:14])-[H:54]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:12](=[#8:13])-[#6@:14].[H]-[#7:11](-[#6:10])-[H:54]
EVODEX.1-Em70 - Reaction Operator Em
[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]
EVODEX.1-Nm84 - Reaction Operator Nm
[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]
Source Full Reactions
EVODEX.1-R5526
[C:1]([C:2]([C:3]([H:30])([H:31])[H:32])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[O:19][C:20]([C:21]1:[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]:1[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[H:54])[H:55])([H:56])([H:57])[H:58].[H][O:29][C:28]([C:27]([H:62])([H:63])[H:64])([H:60])[H:61]>>[C:1]([C:2]([C:3]([H:30])([H:31])[H:32])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([C:12](=[O:13])[O:29][C:28]([C:27]([H:62])([H:63])[H:64])([H:60])[H:61])[H:52])([H:53])[H:54])[H:55])([H:56])([H:57])[H:58].[H][N:14]([C:15]([C:16]([C:17](=[O:18])[O:19][C:20]([C:21]1:[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]:1[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[H:51]