SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]([H:35]):[C:7](=[O:8]):[N:9]:2[C@@:10]2([H:36])[C:11]([H:37])([H:38])[C@@:12]([O:13][H:39])([H:40])[C@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:41])[O:20][P:21](=[O:22])([O:23][H:42])[O:24][P:25](=[O:26])([O:27][H:43])[O:28][H:44])([H:45])[H:46])([H:47])[O:29]2):[C:30](=[O:31]):[N:32]:1[H:48])([H:49])[H:50]>>[H]O[P:17]([O:16][C:15]([C@:14]1([H:47])[C@:12]([O:13][H:39])([H:40])[C:11]([H:37])([H:38])[C@@:10]([N:9]2:[C:4]3:[N:3]:[C:2]([N:1]([H:49])[H:50]):[N:32]([H:48]):[C:30](=[O:31]):[C:5]:3:[N:6]([H:35]):[C:7]:2=[O:8])([H:36])[O:29]1)([H:45])[H:46])(=[O:18])[O:19][H:41].[H]O[P:21]([O:20][H])(=[O:22])[O:23][H:42].[H][O:24][P:25](=[O:26])([O:27][H:43])[O:28][H:44]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
EVODEX.1-E874 - Reaction Operator E
[#8:12]-[#15:13](=[#8:14])(-[#8:15])-[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20]-[#15:21]>>[#8](-[#15:13](-[#8:12])(=[#8:14])-[#8:15])-[H].[#8:20](-[#15:21])-[H].[#8](-[#15:17](-[#8:16]-[H])(=[#8:18])-[#8:19])-[H]
EVODEX.1-C1139 - Reaction Operator C
([#15:17]-[#8:20]-[#15:21]-[#8:24].[#6@@:12])>>([H]-[#8]-[#15:17].[#6@:12]).[H]-[#8]-[#15:21]-[#8:20]-[H].[H]-[#8:24]
EVODEX.1-N1849 - Reaction Operator N
([#6:11]-[#6@@:12](-[#8:13])(-[H:40])-[#6@:14].[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]-[#15:25])>>([H]-[#8]-[#15:17](-[#8:16])(=[#8:18])-[#8:19].[#8:13]-[#6@@:12](-[#6@:14])(-[H:40])-[#6:11]).[H]-[#8]-[#15:21](-[#8:20]-[H])(=[#8:22])-[#8:23].[H]-[#8:24]-[#15:25]
EVODEX.1-Em697 - Reaction Operator Em
[#8:3]=[#15:4](-[#8:5])(-[#8:6])-[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[H]-[#8:11]-[#15:12].[H]-[#8]-[#15:8](-[#8:7]-[H])(=[#8:9])-[#8:10].[H]-[#8]-[#15:4](=[#8:3])(-[#8:5])-[#8:6]
EVODEX.1-Cm283 - Reaction Operator Cm
[#15:4]-[#8:7]-[#15:8]-[#8:11]>>[H]-[#8:11].[#8]-[#15:8]-[#8:7]-[H].[#8]-[#15:4]
EVODEX.1-Nm626 - Reaction Operator Nm
[#8:3]=[#15:4](-[#8:5])(-[#8:6])-[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[H]-[#8:11]-[#15:12].[H]-[#8]-[#15:8](-[#8:7]-[H])(=[#8:9])-[#8:10].[H]-[#8]-[#15:4](=[#8:3])(-[#8:5])-[#8:6]
Source Full Reactions
EVODEX.1-R6642
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]([H:35]):[C:7](=[O:8]):[N:9]:2[C@@:10]2([H:36])[C:11]([H:37])([H:38])[C@@:12]([O:13][H:39])([H:40])[C@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:41])[O:20][P:21](=[O:22])([O:23][H:42])[O:24][P:25](=[O:26])([O:27][H:43])[O:28][H:44])([H:45])[H:46])([H:47])[O:29]2):[C:30](=[O:31]):[N:32]:1[H:48])([H:49])[H:50].[H][O:33][H:51].[H][O:34][H:53]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]([H:35]):[C:7](=[O:8]):[N:9]:2[C@@:10]2([H:36])[C:11]([H:37])([H:38])[C@@:12]([O:13][H:39])([H:40])[C@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:41])[O:33][H:51])([H:45])[H:46])([H:47])[O:29]2):[C:30](=[O:31]):[N:32]:1[H:48])([H:49])[H:50].[H][O:20][P:21](=[O:22])([O:23][H:42])[O:34][H:53].[H][O:24][P:25](=[O:26])([O:27][H:43])[O:28][H:44]