SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]1([H:16])[C:9]([H:17])([H:18])[C:10]([H:19])([H:20])[C:11]([H:21])([H:22])[C:12](=[O:13])[O:14]1)([H:23])[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]O[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[H:16]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E372 - Reaction Operator E
[#6:6]-[#6@:7](-[#6:8])(-[H:25])-[#8:9]-[#6:10]>>([#6:6]-[#6:7](-[#6:8])(-[#8]-[H])-[H:25].[#6:10]-[#8:9]-[H])
EVODEX.1-N627 - Reaction Operator N
[#6:3]-[#6:4](-[H:11])(-[#6:5])-[#8:9]-[#6:7]>>([H]-[#8]-[#6:4](-[#6:3])(-[#6:5])-[H:11].[#6:7]-[#8:9]-[H])
EVODEX.1-Em596 - Reaction Operator Em
[#6:3]-[#6:4](-[#6:5])-[#8:9]-[#6:7]>>([H]-[#8]-[#6:4](-[#6:3])-[#6:5].[#6:7]-[#8:9]-[H])
EVODEX.1-Nm534 - Reaction Operator Nm
[#6:3]-[#6:4](-[#6:5])-[#8:9]-[#6:7]>>([H]-[#8]-[#6:4](-[#6:3])-[#6:5].[#6:7]-[#8:9]-[H])
Source Full Reactions
EVODEX.1-R4827
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]1([H:16])[C:9]([H:17])([H:18])[C:10]([H:19])([H:20])[C:11]([H:21])([H:22])[C:12](=[O:13])[O:14]1)([H:23])[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][O:15][H:38]>>[H][O:14][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:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])([O:15][H:38])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])=[O:13]