SMIRKS
[O:2]([C:3]([C@@:4]1([H:25])[O:5][C@:6]([O:7][C:8]2:[C:9]([H:26]):[N:10]([H:27]):[C:11]3:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:2:3)([H:32])[C@@:17]([O:18][H:33])([H:34])[C@:19]([O:20][H:35])([H:36])[C@@:21]1([O:22][H:37])[H:38])([H:39])[H:40])[H:41]>>[H]O[C:6]1([H:32])[O:5][C@@:4]([C:3]([O:2][H:41])([H:39])[H:40])([H:25])[C@:21]([O:22][H:37])([H:38])[C@@:19]([O:20][H:35])([H:36])[C@:17]1([O:18][H:33])[H:34].[H][O:7][C:8]1:[C:9]([H:26]):[N:10]([H:27]):[C:11]2:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1:2
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-C526 - Reaction Operator C
[#8:7]-[#6@:6]-[#6@@:30]-[#6@:32]-[#6@@:34]>>[H]-[#8]-[#6:6]-[#6@:30]-[#6@@:32]-[#6@:34].[H]-[#8:7]
EVODEX.1-N669 - Reaction Operator N
[#8:5]1-[#6@@:4]-[#6@:34](-[#6@@:32](-[#6@:30](-[#6@@:6]-1(-[#8:7]-[#6@:8])-[H:60])(-[#8:31])-[H:62])(-[#8:33])-[H:64])(-[#8:35])-[H:66]>>[H]-[#8]-[#6:6]1(-[H:60])-[#8:5]-[#6@@:4]-[#6@:34](-[#8:35])(-[H:66])-[#6@@:32](-[#8:33])(-[H:64])-[#6@:30]-1(-[#8:31])-[H:62].[H]-[#8:7]-[#6@:8]
EVODEX.1-Em39 - Reaction Operator Em
[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]
EVODEX.1-Nm43 - Reaction Operator Nm
[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]
Source Full Reactions
EVODEX.1-R5156
[H][O:1][H:23].[O:2]([C:3]([C@@:4]1([H:25])[O:5][C@:6]([O:7][C:8]2:[C:9]([H:26]):[N:10]([H:27]):[C:11]3:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:2:3)([H:32])[C@@:17]([O:18][H:33])([H:34])[C@:19]([O:20][H:35])([H:36])[C@@:21]1([O:22][H:37])[H:38])([H:39])[H:40])[H:41]>>[O:1]([C:6]1([H:32])[O:5][C@@:4]([C:3]([O:2][H:41])([H:39])[H:40])([H:25])[C@:21]([O:22][H:37])([H:38])[C@@:19]([O:20][H:35])([H:36])[C@:17]1([O:18][H:33])[H:34])[H:23].[H][O:7][C:8]1:[C:9]([H:26]):[N:10]([H:27]):[C:11]2:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1:2