SMIRKS
[C:1]([C:2]([C@:3]([C:4]([H:21])([H:22])[H:23])([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]:1[H:28])([H:29])[H:30])[H:31])([C:17](=[O:18])[O:19][H:32])[H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39]>>[C:7](=[O:8])=[O:9].[H]O[C:10]([C:11]1:[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]:1[H:28])([H:29])[H:30].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36])([C:4]([H:21])([H:22])[H:23])[H:34])([C:17](=[O:18])[O:19][H:32])[H:33])[H:31]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E397 - Reaction Operator E
[#6:1]-[#6:2](-[#8:3]-[#6:4](=[#8:5])-[#7:6](-[#6:7])-[H:19])(-[H:20])-[H:21]>>[#6:1]-[#6:2](-[#8]-[H])(-[H:20])-[H:21].[#7:6](-[#6:7])(-[H:19])-[H].[#8:3]=[#6:4]=[#8:5]
EVODEX.1-C1017 - Reaction Operator C
[#7:6](-[#6@:5])-[#6:7]-[#8:9]-[#6:10]>>[#6:7]=[#8:9].[H]-[#8]-[#6:10].[H]-[#7:6]-[#6@@:5]
EVODEX.1-N1272 - Reaction Operator N
[#7:6](-[#6@@:5](-[#6@:3])(-[#6:17])-[H:33])(-[#6:7](=[#8:8])-[#8:9]-[#6:10](-[#6:11])(-[H:29])-[H:30])-[H:31]>>[#6:7](=[#8:8])=[#8:9].[H]-[#8]-[#6:10](-[#6:11])(-[H:29])-[H:30].[H]-[#7:6](-[#6@@:5](-[#6@:3])(-[#6:17])-[H:33])-[H:31]
EVODEX.1-Em674 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]-[#6:10]-[#6:11]>>[#6:7](=[#8:8])=[#8:9].[H]-[#8]-[#6:10]-[#6:11].[H]-[#7:6]-[#6:5]
EVODEX.1-Cm268 - Reaction Operator Cm
[#7:6]-[#6:7]-[#8:9]-[#6:10]>>[#6:7]=[#8:9].[#8]-[#6:10].[H]-[#7:6]
EVODEX.1-Nm607 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]-[#6:10]-[#6:11]>>[#6:7](=[#8:8])=[#8:9].[H]-[#8]-[#6:10]-[#6:11].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R6455
[C:1]([C:2]([C@:3]([C:4]([H:21])([H:22])[H:23])([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]:1[H:28])([H:29])[H:30])[H:31])([C:17](=[O:18])[O:19][H:32])[H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][O:20][H:40]>>[C:7](=[O:8])=[O:9].[C:10]([C:11]1:[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]([H:27]):[C:16]:1[H:28])([O:20][H:40])([H:29])[H:30].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36])([C:4]([H:21])([H:22])[H:23])[H:34])([C:17](=[O:18])[O:19][H:32])[H:33])[H:31]