SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([H:20])([H:21])[H:22])=[C:6]([C:7](=[O:8])[N:9]([C@@:10]([C:11]([C:12]([C:13]([N:14]([H:23])[H:24])=[O:15])([H:25])[H:26])([H:27])[H:28])([C:16](=[O:17])[O:18][H:29])[H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39]>>[H]O[C:7]([C:6](=[C:4]([C:3]([C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36])([H:33])[H:34])[C:5]([H:20])([H:21])[H:22])[H:32])=[O:8].[H][N:9]([C@@:10]([C:11]([C:12]([C:13]([N:14]([H:23])[H:24])=[O:15])([H:25])[H:26])([H:27])[H:28])([C:16](=[O:17])[O:18][H:29])[H:30])[H:31]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-N727 - Reaction Operator N
[#6:6]-[#6:7](=[#8:8])-[#7:9](-[#6@@:10])-[H:31]>>[H]-[#8]-[#6:7](-[#6:6])=[#8:8].[H]-[#7:9](-[#6@@:10])-[H:31]
EVODEX.1-Em647 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]=[#6:10]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9]=[#6:10].[H]-[#7:6]-[#6:5]
EVODEX.1-Nm48 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R6244
[C:1]([C:2]([C:3]([C:4]([C:5]([H:20])([H:21])[H:22])=[C:6]([C:7](=[O:8])[N:9]([C@@:10]([C:11]([C:12]([C:13]([N:14]([H:23])[H:24])=[O:15])([H:25])[H:26])([H:27])[H:28])([C:16](=[O:17])[O:18][H:29])[H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][O:19][H:40]>>[C:1]([C:2]([C:3]([C:4]([C:5]([H:20])([H:21])[H:22])=[C:6]([C:7](=[O:8])[O:19][H:40])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][N:9]([C@@:10]([C:11]([C:12]([C:13]([N:14]([H:23])[H:24])=[O:15])([H:25])[H:26])([H:27])[H:28])([C:16](=[O:17])[O:18][H:29])[H:30])[H:31]