SMIRKS
[H]OC([H])([H])C([H])([H])N([H])[C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8](=[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:58])([H:59])[H:60])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])[H:47])[H:46])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])=[O:18].[H][O:23][H:61]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17](=[O:18])[O:23][H:61])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[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:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60]
Derived Operators
EVODEX.1-F46 - Elemental Balance
| C | -2 |
| O | -1 |
| N | -1 |
| H | -7 |
EVODEX.1-M210 - Mass Difference
-61.05281000000001
EVODEX.1-E533 - Reaction Operator E
[#6:16]-[#6:17](=[#8:18])-[#7](-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[H])-[H].[#8:23](-[H:61])-[H]>>[#6:16]-[#6:17](=[#8:18])-[#8:23]-[H:61]
EVODEX.1-C699 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:17].[H]-[#8:23]>>[#6:17]-[#8:23]
EVODEX.1-N864 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:17](-[#6:16])=[#8:18].[H]-[#8:23]-[H:61]>>[#6:16]-[#6:17](=[#8:18])-[#8:23]-[H:61]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6443
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17](=[O:18])[N:19]([C:20]([C:21]([O:22][H:24])([H:25])[H:26])([H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[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:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[H][O:23][H:61]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17](=[O:18])[O:23][H:61])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[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:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[H][N:19]([C:20]([C:21]([O:22][H:24])([H:25])[H:26])([H:27])[H:28])[H:29]