SMIRKS
[C:1]([C:2]([C@:3]([C:4]([H:18])([H:19])[H:20])([C@:5]([N:6]([H:21])[H:22])([C:7](=[O:8])[N:9]1[C:10]([H:23])([H:24])[C:11]([H:25])([H:26])[C:12]([H:27])([H:28])[C@:13]1([C:14](=[O:15])[O:16][H:29])[H:30])[H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37]>>[H]O[C:7]([C@:5]([C@:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([C:4]([H:18])([H:19])[H:20])[H:32])([N:6]([H:21])[H:22])[H:31])=[O:8].[H][N:9]1[C:10]([H:23])([H:24])[C:11]([H:25])([H:26])[C:12]([H:27])([H:28])[C@:13]1([C:14](=[O:15])[O:16][H:29])[H:30]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E380 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[#6@@:13]>>[#6:1]-[#6:2](=[#8:3])-[#8]-[H].[#7:4](-[#6:5])(-[#6@@:13])-[H]
EVODEX.1-N1384 - Reaction Operator N
[#6:7](-[#6@:5])(=[#8:8])-[#7:9](-[#6:10])-[#6@:13]>>[H]-[#8]-[#6:7](-[#6@:5])=[#8:8].[H]-[#7:9](-[#6:10])-[#6@:13]
EVODEX.1-Em644 - Reaction Operator Em
[#6:9]-[#7:13](-[#6:12])-[#6:14](=[#8:15])-[#6:16]>>[H]-[#8]-[#6:14](=[#8:15])-[#6:16].[H]-[#7:13](-[#6:9])-[#6:12]
EVODEX.1-Nm579 - Reaction Operator Nm
[#6:9]-[#7:13](-[#6:12])-[#6:14](=[#8:15])-[#6:16]>>[H]-[#8]-[#6:14](=[#8:15])-[#6:16].[H]-[#7:13](-[#6:9])-[#6:12]
Source Full Reactions
EVODEX.1-R5600
[C:1]([C:2]([C@:3]([C:4]([H:18])([H:19])[H:20])([C@:5]([N:6]([H:21])[H:22])([C:7](=[O:8])[N:9]1[C:10]([H:23])([H:24])[C:11]([H:25])([H:26])[C:12]([H:27])([H:28])[C@:13]1([C:14](=[O:15])[O:16][H:29])[H:30])[H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37].[H][O:17][H:38]>>[C:1]([C:2]([C@:3]([C:4]([H:18])([H:19])[H:20])([C@:5]([N:6]([H:21])[H:22])([C:7](=[O:8])[O:17][H:38])[H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37].[H][N:9]1[C:10]([H:23])([H:24])[C:11]([H:25])([H:26])[C:12]([H:27])([H:28])[C@:13]1([C:14](=[O:15])[O:16][H:29])[H:30]