SMIRKS
[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]([C:18]([C:19]([C:20](=[O:21])[C:22]([O:23][H:27])([C:24]([N:25]([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:61])([H:62])[H:63]>>[H][C:22]([O:23][H:27])([C:24]([N:25]([H:28])[H:29])([H:30])[H:31])[H:32].[H]O[C:20]([C:19]([C:18]([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:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])[H:52])[H:51])([H:49])[H:50])[H:48])[H:47])([H:45])[H:46])[H:44])[H:43])([H:41])[H:42])[H:40])[H:39])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])=[O:21]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E389 - Reaction Operator E
[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])(-[#6:22])-[H:30]>>[#6:20](-[#8:21])(-[#6:22])(-[H:30])-[H].[#6:17]-[#6:18](=[#8:19])-[#8]-[H]
EVODEX.1-N642 - Reaction Operator N
[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])(-[#6:22])-[H:30]>>[H]-[#6:20](-[#8:21])(-[#6:22])-[H:30].[H]-[#8]-[#6:18](-[#6:17])=[#8:19]
EVODEX.1-Em608 - Reaction Operator Em
[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])-[#6:22]>>[H]-[#6:20](-[#8:21])-[#6:22].[H]-[#8]-[#6:18](-[#6:17])=[#8:19]
EVODEX.1-Nm543 - Reaction Operator Nm
[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])-[#6:22]>>[H]-[#6:20](-[#8:21])-[#6:22].[H]-[#8]-[#6:18](-[#6:17])=[#8:19]
Source Full Reactions
EVODEX.1-R6402
[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]([C:18]([C:19]([C:20](=[O:21])[C:22]([O:23][H:27])([C:24]([N:25]([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:61])([H:62])[H:63].[H][O:26][H:64]>>[H][C:22]([O:23][H:27])([C:24]([N:25]([H:28])[H:29])([H:30])[H:31])[H:32].[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]([C:18]([C:19]([C:20](=[O:21])[O:26][H:64])([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:61])([H:62])[H:63]