SMIRKS
[O:2]=[C:3]([C:4](=[C:5]([C:6]1:[C:7]([H:26]):[C:8]([H:27]):[C:9]([O:10][H:28]):[C:11]([H:29]):[C:12]:1[H:30])[H:31])[H:32])[O:13][C@:14]1([H:33])[C:15]([H:34])([H:35])[C@:16]([O:17][H:36])([C:18](=[O:19])[O:20][H:37])[C:21]([H:38])([H:39])[C@:22]([O:23][H:40])([H:41])[C@:24]1([O:25][H:42])[H:43]>>[H][O:13][C@:14]1([H:33])[C:15]([H:34])([H:35])[C@:16]([O:17][H:36])([C:18](=[O:19])[O:20][H:37])[C:21]([H:38])([H:39])[C@:22]([O:23][H:40])([H:41])[C@:24]1([O:25][H:42])[H:43].[H]O[C:3](=[O:2])[C:4](=[C:5]([C:6]1:[C:7]([H:26]):[C:8]([H:27]):[C:9]([O:10][H:28]):[C:11]([H:29]):[C:12]:1[H:30])[H:31])[H:32]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-N54 - Reaction Operator N
[#6:19](-[#6@:17])(=[#8:20])-[#8:21]-[#6@:22]>>[H]-[#8]-[#6:19](-[#6@:17])=[#8:20].[H]-[#8:21]-[#6@:22]
EVODEX.1-Em588 - Reaction Operator Em
[#8:2]=[#6:3](-[#6:4]=[#6:5])-[#8:13]-[#6:14]>>[H]-[#8:13]-[#6:14].[H]-[#8]-[#6:3](=[#8:2])-[#6:4]=[#6:5]
EVODEX.1-Nm148 - Reaction Operator Nm
[#6:17]-[#6:19](=[#8:20])-[#8:21]-[#6:22]>>[H]-[#8]-[#6:19](-[#6:17])=[#8:20].[H]-[#8:21]-[#6:22]
Source Full Reactions
EVODEX.1-R4963
[O:2]=[C:3]([C:4](=[C:5]([C:6]1:[C:7]([H:26]):[C:8]([H:27]):[C:9]([O:10][H:28]):[C:11]([H:29]):[C:12]:1[H:30])[H:31])[H:32])[O:13][C@:14]1([H:33])[C:15]([H:34])([H:35])[C@:16]([O:17][H:36])([C:18](=[O:19])[O:20][H:37])[C:21]([H:38])([H:39])[C@:22]([O:23][H:40])([H:41])[C@:24]1([O:25][H:42])[H:43].[H][O:1][H:44]>>[H][O:13][C@:14]1([H:33])[C:15]([H:34])([H:35])[C@:16]([O:17][H:36])([C:18](=[O:19])[O:20][H:37])[C:21]([H:38])([H:39])[C@:22]([O:23][H:40])([H:41])[C@:24]1([O:25][H:42])[H:43].[O:1]([C:3](=[O:2])[C:4](=[C:5]([C:6]1:[C:7]([H:26]):[C:8]([H:27]):[C:9]([O:10][H:28]):[C:11]([H:29]):[C:12]:1[H:30])[H:31])[H:32])[H:44]