SMIRKS
[H]C([H])([H])C([H])([H])O[C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]([N:10]([C:11](=[N:12][H:29])[N:13]([H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]([H:41]):[C:21]([H:42]):[C:22]:1[H:43])[H:44])[H:45].[H][N:23]([C:24]([C:25]([C:26]([N:27]([H:51])[H:52])=[O:28])([H:53])[H:54])([H:55])[H:56])[H:57]>>[C:4](=[O:5])([C@:6]([C:7]([C:8]([C:9]([N:10]([C:11](=[N:12][H:29])[N:13]([H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]([H:41]):[C:21]([H:42]):[C:22]:1[H:43])[H:44])[H:45])[N:23]([C:24]([C:25]([C:26]([N:27]([H:51])[H:52])=[O:28])([H:53])[H:54])([H:55])[H:56])[H:57]
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-R6033
[C:1]([C:2]([O:3][C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]([N:10]([C:11](=[N:12][H:29])[N:13]([H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]([H:41]):[C:21]([H:42]):[C:22]:1[H:43])[H:44])[H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][N:23]([C:24]([C:25]([C:26]([N:27]([H:51])[H:52])=[O:28])([H:53])[H:54])([H:55])[H:56])[H:57]>>[C:4](=[O:5])([C@:6]([C:7]([C:8]([C:9]([N:10]([C:11](=[N:12][H:29])[N:13]([H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:39]):[C:19]([H:40]):[C:20]([H:41]):[C:21]([H:42]):[C:22]:1[H:43])[H:44])[H:45])[N:23]([C:24]([C:25]([C:26]([N:27]([H:51])[H:52])=[O:28])([H:53])[H:54])([H:55])[H:56])[H:57].[H][O:3][C:2]([C:1]([H:48])([H:49])[H:50])([H:46])[H:47]