SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:37]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:38]):[N:10]:2[C@:11]1([H:39])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:40])[O:19][C:20](=[O:21])[C:22]([N:23]([C:24](=[O:25])[C:26]2:[C:27]([H:41]):[C:28]([H:42]):[C:29]([H:43]):[C:30]([H:44]):[C:31]:2[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[C@:32]([O:33][H:52])([H:53])[C@:34]1([O:35][H:54])[H:55])([H:56])[H:57]>>[H]O[C:20](=[O:21])[C:22]([N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:41]):[C:28]([H:42]):[C:29]([H:43]):[C:30]([H:44]):[C:31]:1[H:45])[H:46])([H:47])[H:48].[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:51])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:37]):[N:3]:[C:2]([N:1]([H:56])[H:57]):[C:7]:3:[N:8]:[C:9]:2[H:38])([H:39])[C@@:34]([O:35][H:54])([H:55])[C@@:32]1([O:33][H:52])[H:53])([H:49])[H:50])(=[O:17])[O:18][H:40]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E379 - Reaction Operator E
[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9]>>[#8](-[#6:3](=[#8:2])-[#6:9])-[H].[#8:4](-[#15:5])-[H]
EVODEX.1-C1118 - Reaction Operator C
([#8:19]-[#6:20].[#6@:32]-[#6@:34])>>[H]-[#8]-[#6:20].([H]-[#8:19].[#6@@:34]-[#6@@:32])
EVODEX.1-N1846 - Reaction Operator N
([#15:16]-[#8:19]-[#6:20](=[#8:21])-[#6:22].[#8:33]-[#6@@:32](-[#6@@:13])(-[H:53])-[#6@:34](-[#6@:11])(-[#8:35])-[H:55])>>[H]-[#8]-[#6:20](=[#8:21])-[#6:22].([H]-[#8:19]-[#15:16].[#8:35]-[#6@:34](-[#6@:11])(-[H:55])-[#6@@:32](-[#6@@:13])(-[#8:33])-[H:53])
EVODEX.1-Em623 - Reaction Operator Em
[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9]>>[H]-[#8]-[#6:3](=[#8:2])-[#6:9].[H]-[#8:4]-[#15:5]
EVODEX.1-Nm558 - Reaction Operator Nm
[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9]>>[H]-[#8]-[#6:3](=[#8:2])-[#6:9].[H]-[#8:4]-[#15:5]
Source Full Reactions
EVODEX.1-R6620
[N:1]([C:2]1:[N:3]:[C:4]([H:37]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:38]):[N:10]:2[C@:11]1([H:39])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:40])[O:19][C:20](=[O:21])[C:22]([N:23]([C:24](=[O:25])[C:26]2:[C:27]([H:41]):[C:28]([H:42]):[C:29]([H:43]):[C:30]([H:44]):[C:31]:2[H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[C@:32]([O:33][H:52])([H:53])[C@:34]1([O:35][H:54])[H:55])([H:56])[H:57].[H][O:36][H:58]>>[C:20](=[O:21])([C:22]([N:23]([C:24](=[O:25])[C:26]1:[C:27]([H:41]):[C:28]([H:42]):[C:29]([H:43]):[C:30]([H:44]):[C:31]:1[H:45])[H:46])([H:47])[H:48])[O:36][H:58].[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:51])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:37]):[N:3]:[C:2]([N:1]([H:56])[H:57]):[C:7]:3:[N:8]:[C:9]:2[H:38])([H:39])[C@@:34]([O:35][H:54])([H:55])[C@@:32]1([O:33][H:52])[H:53])([H:49])[H:50])(=[O:17])[O:18][H:40]