SMIRKS
[C:4]([O:5][C:6](=[O:7])[C:8]([C:9]([C:10]([N:11]([C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17]([N:18]([C:19](=[N:20][H:37])[N:21]([H:38])[H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([N:22]([C:23](=[O:24])[C:25]1:[C:26]([H:47]):[C:27]([H:48]):[C:28]([H:49]):[C:29]([H:50]):[C:30]:1[H:51])[H:52])[H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63]>>[H]C([H])([H])C([H])([H])O[C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17]([N:18]([C:19](=[N:20][H:37])[N:21]([H:38])[H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([N:22]([C:23](=[O:24])[C:25]1:[C:26]([H:47]):[C:27]([H:48]):[C:28]([H:49]):[C:29]([H:50]):[C:30]:1[H:51])[H:52])[H:53].[H][N:11]([C:10]([C:9]([C:8]([C:6]([O:5][C:4]([H:61])([H:62])[H:63])=[O:7])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])[H:54]
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-R6037
[H][O:3][C:2]([C:1]([H:34])([H:35])[H:36])([H:32])[H:33].[C:4]([O:5][C:6](=[O:7])[C:8]([C:9]([C:10]([N:11]([C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17]([N:18]([C:19](=[N:20][H:37])[N:21]([H:38])[H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([N:22]([C:23](=[O:24])[C:25]1:[C:26]([H:47]):[C:27]([H:48]):[C:28]([H:49]):[C:29]([H:50]):[C:30]:1[H:51])[H:52])[H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63]>>[C:1]([C:2]([O:3][C:12](=[O:13])[C@:14]([C:15]([C:16]([C:17]([N:18]([C:19](=[N:20][H:37])[N:21]([H:38])[H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([N:22]([C:23](=[O:24])[C:25]1:[C:26]([H:47]):[C:27]([H:48]):[C:28]([H:49]):[C:29]([H:50]):[C:30]:1[H:51])[H:52])[H:53])([H:32])[H:33])([H:34])([H:35])[H:36].[H][N:11]([C:10]([C:9]([C:8]([C:6]([O:5][C:4]([H:61])([H:62])[H:63])=[O:7])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])[H:54]