SMIRKS
[O:2]=[C:3]1[N:4]([H:25])[C:5]2:[C:6]([H:26]):[C:7]([H:27]):[C:8]([H:28]):[C:9]([H:29]):[C:10]:2[O:11][C:12]1([O:13][C@:14]1([H:30])[O:15][C@@:16]([C:17]([O:18][H:31])([H:32])[H:33])([H:34])[C@:19]([O:20][H:35])([H:36])[C@@:21]([O:22][H:37])([H:38])[C@:23]1([O:24][H:39])[H:40])[H:41]>>[H][O:13][C@:14]1([H:30])[O:15][C@@:16]([C:17]([O:18][H:31])([H:32])[H:33])([H:34])[C@:19]([O:20][H:35])([H:36])[C@@:21]([O:22][H:37])([H:38])[C@:23]1([O:24][H:39])[H:40].[H]O[C:12]1([H:41])[C:3](=[O:2])[N:4]([H:25])[C:5]2:[C:6]([H:26]):[C:7]([H:27]):[C:8]([H:28]):[C:9]([H:29]):[C:10]:2[O:11]1
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E359 - Reaction Operator E
[#6:6](-[#6@@:5])(-[#8:7]-[#6@:8])(-[H:81])-[#8:42]>>[#6:6](-[#6@@:5])(-[#8]-[H])(-[H:81])-[#8:42].[#8:7](-[#6@:8])-[H]
EVODEX.1-N1773 - Reaction Operator N
[#6:3]-[#6:12](-[#8:11])(-[#8:13]-[#6@:14])-[H:41]>>[H]-[#8:13]-[#6@:14].[H]-[#8]-[#6:12](-[H:41])(-[#6:3])-[#8:11]
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-R5259
[O:2]=[C:3]1[N:4]([H:25])[C:5]2:[C:6]([H:26]):[C:7]([H:27]):[C:8]([H:28]):[C:9]([H:29]):[C:10]:2[O:11][C:12]1([O:13][C@:14]1([H:30])[O:15][C@@:16]([C:17]([O:18][H:31])([H:32])[H:33])([H:34])[C@:19]([O:20][H:35])([H:36])[C@@:21]([O:22][H:37])([H:38])[C@:23]1([O:24][H:39])[H:40])[H:41].[H][O:1][H:42]>>[H][O:13][C@:14]1([H:30])[O:15][C@@:16]([C:17]([O:18][H:31])([H:32])[H:33])([H:34])[C@:19]([O:20][H:35])([H:36])[C@@:21]([O:22][H:37])([H:38])[C@:23]1([O:24][H:39])[H:40].[O:1]([C:12]1([H:41])[C:3](=[O:2])[N:4]([H:25])[C:5]2:[C:6]([H:26]):[C:7]([H:27]):[C:8]([H:28]):[C:9]([H:29]):[C:10]:2[O:11]1)[H:42]