SMIRKS
[C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@@:5]2([H:32])[C:6]([H:33])([H:34])[C@@:7]([O:8][H:35])([H:36])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:37])[O:15][P:16](=[O:17])([O:18][H:38])[O:19][P:20](=[O:21])([O:22][H:39])[O:23][H:40])([H:41])[H:42])([H:43])[O:24]2):[C:25](=[O:26]):[N:27]([H:44]):[C:28]:1=[O:29])([H:45])([H:46])[H:47]>>[H]O[P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:43])[C@:7]([O:8][H:35])([H:36])[C:6]([H:33])([H:34])[C@@:5]([N:4]2:[C:3]([H:31]):[C:2]([C:1]([H:45])([H:46])[H:47]):[C:28](=[O:29]):[N:27]([H:44]):[C:25]:2=[O:26])([H:32])[O:24]1)([H:41])[H:42])(=[O:13])[O:14][H:37])(=[O:17])[O:18][H:38].[H][O:19][P:20](=[O:21])([O:22][H:39])[O:23][H:40]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E337 - Reaction Operator E
[#8:17]-[#15:18](=[#8:19])(-[#8:20])-[#8:21]-[#15:22]>>[#8:17]-[#15:18](=[#8:19])(-[#8:20])-[#8]-[H].[#8:21](-[#15:22])-[H]
EVODEX.1-C519 - Reaction Operator C
([#15:13]-[#8:16].[#6@@:9])>>([H]-[#8]-[#15:13].[#6@:9]).[H]-[#8:16]
EVODEX.1-N1371 - Reaction Operator N
([#6:7]-[#6@@:8](-[#8:9])(-[H:36])-[#6@:10].[#8:12]-[#15:13](=[#8:14])(-[#8:15])-[#8:16]-[#15:17])>>([H]-[#8]-[#15:13](-[#8:12])(=[#8:14])-[#8:15].[#8:9]-[#6@@:8](-[#6@:10])(-[H:36])-[#6:7]).[H]-[#8:16]-[#15:17]
EVODEX.1-Em122 - Reaction Operator Em
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20]>>[H]-[#8:19]-[#15:20].[H]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]
EVODEX.1-Nm156 - Reaction Operator Nm
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20]>>[H]-[#8:19]-[#15:20].[H]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]
Source Full Reactions
EVODEX.1-R5035
[C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@@:5]2([H:32])[C:6]([H:33])([H:34])[C@@:7]([O:8][H:35])([H:36])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:37])[O:15][P:16](=[O:17])([O:18][H:38])[O:19][P:20](=[O:21])([O:22][H:39])[O:23][H:40])([H:41])[H:42])([H:43])[O:24]2):[C:25](=[O:26]):[N:27]([H:44]):[C:28]:1=[O:29])([H:45])([H:46])[H:47].[H][O:30][H:48]>>[C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@@:5]2([H:32])[C:6]([H:33])([H:34])[C@@:7]([O:8][H:35])([H:36])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:37])[O:15][P:16](=[O:17])([O:18][H:38])[O:30][H:48])([H:41])[H:42])([H:43])[O:24]2):[C:25](=[O:26]):[N:27]([H:44]):[C:28]:1=[O:29])([H:45])([H:46])[H:47].[H][O:19][P:20](=[O:21])([O:22][H:39])[O:23][H:40]
EVODEX.1-R7537
[C:1]([C:2]1:[C:3]([H:41]):[N:4]([C@@:5]2([H:42])[C:6]([H:43])([H:44])[C@@:7]([O:8][H:45])([H:46])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:47])[O:15][P:16](=[O:17])([O:18][H:48])[O:19][P:20](=[O:21])([O:22][H:49])[O:23][H:50])([H:51])[H:52])([H:53])[O:24]2):[C:25](=[O:26]):[N:27]([H:54]):[C:28]:1=[O:29])([H:55])([H:56])[H:57].[N:31]([C@@:32]([C:33]([C:34]([C:35](=[O:36])[O:37][H:58])([H:59])[H:60])([H:61])[H:62])([C:38](=[O:39])[O:40][H:63])[H:64])([H:65])[H:66].[H][N:30]([H:67])[H:68]>>[C:1]([C:2]1:[C:3]([H:41]):[N:4]([C@@:5]2([H:42])[C:6]([H:43])([H:44])[C@@:7]([O:8][H:45])([H:46])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:47])[O:15][P:16](=[O:17])([O:18][H:48])[O:37][H:58])([H:51])[H:52])([H:53])[O:24]2):[C:25](=[O:26]):[N:27]([H:54]):[C:28]:1=[O:29])([H:55])([H:56])[H:57].[N:30]([C:35]([C:34]([C:33]([C@:32]([N:31]([H:65])[H:66])([C:38](=[O:39])[O:40][H:63])[H:64])([H:61])[H:62])([H:59])[H:60])=[O:36])([H:67])[H:68].[H][O:19][P:20](=[O:21])([O:22][H:49])[O:23][H:50]