SMIRKS
[H][C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([C:12](=[O:13])[O:14][H:17])[H:18]>>[H]OO[C@:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([C:12](=[O:13])[O:14][H:17])[H:18]
Derived Operators
EVODEX.1-M19 - Mass Difference
31.9898
EVODEX.1-E602 - Reaction Operator E
[#6:3]-[#6:4](-[#6:5])(-[H:44])-[H]>>[#6:3]-[#6:4](-[#6:5])(-[#8]-[#8]-[H])-[H:44]
EVODEX.1-N138 - Reaction Operator N
[H]-[#6:12](-[#6:11])(-[#6:13])-[H:34]>>[H]-[#8]-[#8]-[#6:12](-[#6:11])(-[#6:13])-[H:34]
EVODEX.1-Em221 - Reaction Operator Em
[H]-[#6:12](-[#6:11])-[#6:13]>>[#8]-[#8]-[#6:12](-[#6:11])-[#6:13]
EVODEX.1-Nm220 - Reaction Operator Nm
[H]-[#6:12](-[#6:11])-[#6:13]>>[#8]-[#8]-[#6:12](-[#6:11])-[#6:13]
Source Full Reactions
EVODEX.1-R306
[H][C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([C:12](=[O:13])[O:14][H:17])[H:18].[O:15]=[O:16]>>[H][O:16][O:15][C@:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([C:12](=[O:13])[O:14][H:17])[H:18]