SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([N:6]([C:7](=[O:8])[H:14])[H:15])([C:9](=[O:10])[N:11]([C:12]([H:16])([H:17])[H:18])[H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29]>>[H][N:6]([C@@:5]([C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([C:9](=[O:10])[N:11]([C:12]([H:16])([H:17])[H:18])[H:19])[H:20])[H:15].[H]O[C:7](=[O:8])[H:14]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E384 - Reaction Operator E
[#6:4]-[#6:5](-[#7:6](-[#6:7](=[#8:8])-[H:36])-[H:37])(-[#6:9])-[H:57]>>[#6:4]-[#6@:5](-[#7:6](-[H:37])-[H])(-[#6:9])-[H:57].[#6:7](=[#8:8])(-[#8]-[H])-[H:36]
EVODEX.1-N86 - Reaction Operator N
[#6:4]-[#6@:5](-[#7:6](-[#6:7](=[#8:8])-[H:32])-[H:33])(-[#6:9])-[H:55]>>[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:9])-[H:55])-[H:33].[H]-[#8]-[#6:7](=[#8:8])-[H:32]
EVODEX.1-Em129 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
EVODEX.1-Nm163 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
Source Full Reactions
EVODEX.1-R6503
[C:1]([C:2]([C:3]([C:4]([C:5]([N:6]([C:7](=[O:8])[H:14])[H:15])([C:9](=[O:10])[N:11]([C:12]([H:16])([H:17])[H:18])[H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][O:13][H:30]>>[H][N:6]([C@@:5]([C:4]([C:3]([C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([C:9](=[O:10])[N:11]([C:12]([H:16])([H:17])[H:18])[H:19])[H:20])[H:15].[C:7](=[O:8])([O:13][H:30])[H:14]