SMIRKS
[O:1]=[C:2]([O:3][H:17])[C:4](=[C:5]([C:6](=[O:7])[O:8][H:18])[H:19])[H:20].[H][O:9][C:10]1:[C:11]([H:21]):[C:12]([H:22]):[C:13]([O:14][H]):[C:15]([H:24]):[C:16]:1[H:25]>>[H][C:4]([C:2](=[O:1])[O:3][H:17])([C:5]([H])([C:6](=[O:7])[O:8][H:18])[H:19])[H:20].[O:9]=[C:10]1[C:11]([H:21])=[C:12]([H:22])[C:13](=[O:14])[C:15]([H:24])=[C:16]1[H:25]
Derived Operators
EVODEX.1-E329 - Reaction Operator E
[#6:2]1:[#6:3]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:9]:[#6:11]:1-[#8:12]-[H].[#8:13]=[#6:14]-[#6:16](=[#6:17](-[#6:18]=[#8:19])-[H:37])-[H:38]>>[#6:2]1=[#6:3]-[#6:5](=[#8:6])-[#6:7]=[#6:9]-[#6:11]-1=[#8:12].[#8:13]=[#6:14]-[#6:16](-[#6:17](-[#6:18]=[#8:19])(-[H:37])-[H])(-[H:38])-[H]
EVODEX.1-C241 - Reaction Operator C
([H]-[#8:7].[#8:15]-[H]).[#6:19]=[#6:20]>>([#8:7].[#8:15]).[H]-[#6:19]-[#6:20]-[H]
EVODEX.1-N226 - Reaction Operator N
([H]-[#8:7]-[#6:6].[#6:14]-[#8:15]-[H]).[#6:17]-[#6:19](=[#6:20](-[#6:21])-[H:42])-[H:43]>>([#6:6]=[#8:7].[#6:14]=[#8:15]).[H]-[#6:19](-[#6:17])(-[#6:20](-[H])(-[#6:21])-[H:42])-[H:43]
EVODEX.1-Em326 - Reaction Operator Em
[H]-[#8:7]-[#6:6]1:[#6:4]:[#6:3]:[#6:14](-[#8:15]-[H]):[#6:11]:[#6:8]:1.[#8:16]=[#6:17]-[#6:19]=[#6:20]-[#6:21]=[#8:22]>>[#6:3]1=[#6:4]-[#6:6](=[#8:7])-[#6:8]=[#6:11]-[#6:14]-1=[#8:15].[H]-[#6:19](-[#6:17]=[#8:16])-[#6:20](-[H])-[#6:21]=[#8:22]
EVODEX.1-Cm222 - Reaction Operator Cm
([H]-[#8:7].[#8:15]-[H]).[#6:19]=[#6:20]>>([#8:7].[#8:15]).[H]-[#6:19]-[#6:20]-[H]
EVODEX.1-Nm310 - Reaction Operator Nm
([H]-[#8:7]-[#6:6].[#6:14]-[#8:15]-[H]).[#6:17]-[#6:19]=[#6:20]-[#6:21]>>([#6:6]=[#8:7].[#6:14]=[#8:15]).[H]-[#6:19](-[#6:17])-[#6:20](-[H])-[#6:21]
Source Full Reactions
EVODEX.1-R833
[O:1]=[C:2]([O:3][H:17])[C:4](=[C:5]([C:6](=[O:7])[O:8][H:18])[H:19])[H:20].[H][O:9][C:10]1:[C:11]([H:21]):[C:12]([H:22]):[C:13]([O:14][H]):[C:15]([H:24]):[C:16]:1[H:25]>>[H][C:4]([C:2](=[O:1])[O:3][H:17])([C:5]([H])([C:6](=[O:7])[O:8][H:18])[H:19])[H:20].[O:9]=[C:10]1[C:11]([H:21])=[C:12]([H:22])[C:13](=[O:14])[C:15]([H:24])=[C:16]1[H:25]