SMIRKS
[H]C([H])([H])C([H])([H])[O:3][C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]1:[C:10]([H:35]):[C:11]([H:36]):[C:12]([H:37]):[C:13]([H:38]):[C:14]:1[H:39])([H:40])[H:41])([H:42])[H:43])([N:15]([C@@:16]([C:17]([H:44])([H:45])[H:46])([C:18](=[O:19])[N:20]([C:21]([C:22](=[O:23])[O:24][H:47])([H:48])[H:49])[C:25]1([H:50])[C:26]([H:51])([H:52])[C:27]2:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:2[C:33]1([H:57])[H:58])[H:59])[H:60])[H:61]>>[H][O:3][C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]1:[C:10]([H:35]):[C:11]([H:36]):[C:12]([H:37]):[C:13]([H:38]):[C:14]:1[H:39])([H:40])[H:41])([H:42])[H:43])([N:15]([C@@:16]([C:17]([H:44])([H:45])[H:46])([C:18](=[O:19])[N:20]([C:21]([C:22](=[O:23])[O:24][H:47])([H:48])[H:49])[C:25]1([H:50])[C:26]([H:51])([H:52])[C:27]2:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:2[C:33]1([H:57])[H:58])[H:59])[H:60])[H:61]
Derived Operators
EVODEX.1-F95 - Elemental Balance
| C | -2 |
| H | -4 |
EVODEX.1-M108 - Mass Difference
-28.03132
EVODEX.1-E679 - Reaction Operator E
[#6](-[#6](-[#8:3]-[#6:4])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:3](-[#6:4])-[H]
EVODEX.1-N607 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8:3]-[#6:4]>>[H]-[#8:3]-[#6:4]
Source Full Reactions
EVODEX.1-R4717
[C:1]([C:2]([O:3][C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]1:[C:10]([H:35]):[C:11]([H:36]):[C:12]([H:37]):[C:13]([H:38]):[C:14]:1[H:39])([H:40])[H:41])([H:42])[H:43])([N:15]([C@@:16]([C:17]([H:44])([H:45])[H:46])([C:18](=[O:19])[N:20]([C:21]([C:22](=[O:23])[O:24][H:47])([H:48])[H:49])[C:25]1([H:50])[C:26]([H:51])([H:52])[C:27]2:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:2[C:33]1([H:57])[H:58])[H:59])[H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[H][O:34][H:67]>>[C:1]([C:2]([O:34][H:67])([H:62])[H:63])([H:64])([H:65])[H:66].[H][O:3][C:4](=[O:5])[C@:6]([C:7]([C:8]([C:9]1:[C:10]([H:35]):[C:11]([H:36]):[C:12]([H:37]):[C:13]([H:38]):[C:14]:1[H:39])([H:40])[H:41])([H:42])[H:43])([N:15]([C@@:16]([C:17]([H:44])([H:45])[H:46])([C:18](=[O:19])[N:20]([C:21]([C:22](=[O:23])[O:24][H:47])([H:48])[H:49])[C:25]1([H:50])[C:26]([H:51])([H:52])[C:27]2:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:2[C:33]1([H:57])[H:58])[H:59])[H:60])[H:61]