SMIRKS
[O:2]=[C:3]([N:4]([C@@:5]([C:6]([O:7][H:19])([H:20])[H:21])([C:8](=[O:9])[O:10][H:22])[H:23])[H:24])[O:11][C:12]([C:13]1:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]:1[H:29])([H:30])[H:31].[H][O:1][H:32]>>[H][N:4]([C@@:5]([C:6]([O:7][H:19])([H:20])[H:21])([C:8](=[O:9])[O:10][H:22])[H:23])[H:24].[O:2]=[C:3]=[O:11].[O:1]([C:12]([C:13]1:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]:1[H:29])([H:30])[H:31])[H:32]
Derived Operators
EVODEX.1-E261 - Reaction Operator E
[#6:1]-[#6:2](-[#8:3]-[#6:4](=[#8:5])-[#7:6](-[#6:7])-[H:19])(-[H:20])-[H:21].[#8:13](-[H:25])-[H]>>[#6:1]-[#6:2](-[#8:13]-[H:25])(-[H:20])-[H:21].[#7:6](-[#6:7])(-[H:19])-[H].[#8:3]=[#6:4]=[#8:5]
EVODEX.1-C924 - Reaction Operator C
[#6:3](-[#7:4])-[#8:16]-[#6:17].[H]-[#8:1]>>[H]-[#7:4].[#6:3]=[#8:16].[#8:1]-[#6:17]
EVODEX.1-N1154 - Reaction Operator N
[#8:2]=[#6:3](-[#7:4](-[#6@@:5])-[H:33])-[#8:16]-[#6:17](-[#6:18])(-[H:39])-[H:40].[H]-[#8:1]-[H:41]>>[H]-[#7:4](-[#6@@:5])-[H:33].[#8:2]=[#6:3]=[#8:16].[#8:1](-[#6:17](-[#6:18])(-[H:39])-[H:40])-[H:41]
EVODEX.1-Em677 - Reaction Operator Em
[#6:4]-[#7:5]-[#6:6](=[#8:7])-[#8:8]-[#6:9]-[#6:10].[H]-[#8:19]>>[#6:6](=[#8:7])=[#8:8].[#6:9](-[#6:10])-[#8:19].[H]-[#7:5]-[#6:4]
EVODEX.1-Cm270 - Reaction Operator Cm
[#7:5]-[#6:6]-[#8:8]-[#6:9].[H]-[#8:19]>>[#6:6]=[#8:8].[#6:9]-[#8:19].[H]-[#7:5]
EVODEX.1-Nm610 - Reaction Operator Nm
[#6:4]-[#7:5]-[#6:6](=[#8:7])-[#8:8]-[#6:9]-[#6:10].[H]-[#8:19]>>[#6:6](=[#8:7])=[#8:8].[#6:9](-[#6:10])-[#8:19].[H]-[#7:5]-[#6:4]
Source Full Reactions
EVODEX.1-R6451
[O:2]=[C:3]([N:4]([C@@:5]([C:6]([O:7][H:19])([H:20])[H:21])([C:8](=[O:9])[O:10][H:22])[H:23])[H:24])[O:11][C:12]([C:13]1:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]:1[H:29])([H:30])[H:31].[H][O:1][H:32]>>[H][N:4]([C@@:5]([C:6]([O:7][H:19])([H:20])[H:21])([C:8](=[O:9])[O:10][H:22])[H:23])[H:24].[O:2]=[C:3]=[O:11].[O:1]([C:12]([C:13]1:[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]([H:28]):[C:18]:1[H:29])([H:30])[H:31])[H:32]