SMIRKS
[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]:1[H:22])[H:23])([C:14]([N:15]([H:24])[H:25])=[O:16])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36]>>[H]O[C:14]([C@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([N:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]:1[H:22])[H:23])[H:26])=[O:16].[H][N:15]([H:24])[H:25]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E345 - Reaction Operator E
[#6:6]-[#6:7](-[#7:8](-[H:11])-[H:12])=[#8:9]>>[#6:6]-[#6:7](=[#8:9])-[#8]-[H].[#7:8](-[H:11])(-[H:12])-[H]
EVODEX.1-N645 - Reaction Operator N
[#7:1](-[#6:2](=[#8:3])-[#6:4])(-[H:9])-[H:10]>>[H]-[#8]-[#6:2](=[#8:3])-[#6:4].[H]-[#7:1](-[H:9])-[H:10]
EVODEX.1-Em609 - Reaction Operator Em
[#7:1]-[#6:2](=[#8:3])-[#6:4]>>[H]-[#8]-[#6:2](=[#8:3])-[#6:4].[H]-[#7:1]
EVODEX.1-Nm544 - Reaction Operator Nm
[#7:1]-[#6:2](=[#8:3])-[#6:4]>>[H]-[#8]-[#6:2](=[#8:3])-[#6:4].[H]-[#7:1]
Source Full Reactions
EVODEX.1-R5963
[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]:1[H:22])[H:23])([C:14]([N:15]([H:24])[H:25])=[O:16])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36].[H][O:17][H:37]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]([H:21]):[C:13]:1[H:22])[H:23])([C:14](=[O:16])[O:17][H:37])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36].[H][N:15]([H:24])[H:25]