SMIRKS
[H]C([H])([H])C([H])([H])O[C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]([H:30])([H:31])[H:32])([C:10]([H:33])([H:34])[H:35])[H:36])([H:37])[H:38])([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46].[H][N:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C:24]1:[C:25]([H:52]):[C:26]([H:53]):[C:27]([H:54]):[C:28]([H:55]):[C:29]:1[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63]>>[C:4](=[O:5])([C@:6]([C:7]([C:8]([C:9]([H:30])([H:31])[H:32])([C:10]([H:33])([H:34])[H:35])[H:36])([H:37])[H:38])([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])[N:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C:24]1:[C:25]([H:52]):[C:26]([H:53]):[C:27]([H:54]):[C:28]([H:55]):[C:29]:1[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63]
Derived Operators
EVODEX.1-F343 - Elemental Balance
| O | -1 |
| C | -2 |
| H | -6 |
EVODEX.1-M190 - Mass Difference
-46.04188
EVODEX.1-E1132 - Reaction Operator E
[#6](-[#6](-[#8]-[#6:4](=[#8:5])-[#6@:6])(-[H])-[H])(-[H])(-[H])-[H].[#6:34]-[#7:35](-[H:58])-[H]>>[#6:4](=[#8:5])(-[#6@:6])-[#7:35](-[#6:34])-[H:58]
EVODEX.1-C1007 - Reaction Operator C
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:4].[H]-[#7:23]>>[#6:4]-[#7:23]
EVODEX.1-N1258 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:4](=[#8:5])-[#6@:6].[H]-[#7:23](-[#6:24])-[H:57]>>[#6:4](=[#8:5])(-[#6@:6])-[#7:23](-[#6:24])-[H:57]
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-R5525
[C:1]([C:2]([O:3][C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]([H:30])([H:31])[H:32])([C:10]([H:33])([H:34])[H:35])[H:36])([H:37])[H:38])([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])([H:47])[H:48])([H:49])([H:50])[H:51].[H][N:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C:24]1:[C:25]([H:52]):[C:26]([H:53]):[C:27]([H:54]):[C:28]([H:55]):[C:29]:1[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63]>>[C:4](=[O:5])([C@:6]([C:7]([C:8]([C:9]([H:30])([H:31])[H:32])([C:10]([H:33])([H:34])[H:35])[H:36])([H:37])[H:38])([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])[N:17]([C:18]([C:19]([C:20](=[O:21])[O:22][C:23]([C:24]1:[C:25]([H:52]):[C:26]([H:53]):[C:27]([H:54]):[C:28]([H:55]):[C:29]:1[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63].[H][O:3][C:2]([C:1]([H:49])([H:50])[H:51])([H:47])[H:48]