SMIRKS
[C:1]([N:2]([C:3]1:[C:4]([H:43]):[C:5]([H:44]):[C:6]([C:7](=[O:8])[O:9][C:10]2([H:45])[C:11]([O:12][H:46])([H:47])[C@@:13]([N:14]3:[C:15]([H:48]):[N:16]:[C:17]4:[C:18]([N:19]([H:49])[H:50]):[N:20]:[C:21]([H:51]):[N:22]:[C:23]:3:4)([H:52])[O:24][C@@:25]2([O:26][P:27](=[O:28])([O:29][H:53])[O:30][P:31](=[O:32])([O:33][H:54])[O:34][P:35](=[O:36])([O:37][H:55])[O:38][H:56])[H:57]):[C:39]([H:58]):[C:40]:1[H:59])[H:60])([H:61])([H:62])[H:63]>>[H]O[P:27]([O:26][C@:25]1([H:57])[C:10]([O:9][C:7]([C:6]2:[C:5]([H:44]):[C:4]([H:43]):[C:3]([N:2]([C:1]([H:61])([H:62])[H:63])[H:60]):[C:40]([H:59]):[C:39]:2[H:58])=[O:8])([H:45])[C:11]([O:12][H:46])([H:47])[C@@:13]([N:14]2:[C:15]([H:48]):[N:16]:[C:17]3:[C:18]([N:19]([H:49])[H:50]):[N:20]:[C:21]([H:51]):[N:22]:[C:23]:2:3)([H:52])[O:24]1)(=[O:28])[O:29][H:53].[H]O[P:31]([O:30][H])(=[O:32])[O:33][H:54].[H][O:34][P:35](=[O:36])([O:37][H:55])[O:38][H:56]
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-N1848 - Reaction Operator N
[#6:10]-[#6@:25](-[#8:24])(-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30]-[#15:31](=[#8:32])(-[#8:33])-[#8:34]-[#15:35])-[H:57]>>[H]-[#8]-[#15:27](-[#8:26]-[#6@:25](-[H:57])(-[#6:10])-[#8:24])(=[#8:28])-[#8:29].[H]-[#8]-[#15:31](-[#8:30]-[H])(=[#8:32])-[#8:33].[H]-[#8:34]-[#15:35]
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-R6639
[C:1]([N:2]([C:3]1:[C:4]([H:43]):[C:5]([H:44]):[C:6]([C:7](=[O:8])[O:9][C:10]2([H:45])[C:11]([O:12][H:46])([H:47])[C@@:13]([N:14]3:[C:15]([H:48]):[N:16]:[C:17]4:[C:18]([N:19]([H:49])[H:50]):[N:20]:[C:21]([H:51]):[N:22]:[C:23]:3:4)([H:52])[O:24][C@@:25]2([O:26][P:27](=[O:28])([O:29][H:53])[O:30][P:31](=[O:32])([O:33][H:54])[O:34][P:35](=[O:36])([O:37][H:55])[O:38][H:56])[H:57]):[C:39]([H:58]):[C:40]:1[H:59])[H:60])([H:61])([H:62])[H:63].[H][O:41][H:64].[H][O:42][H:66]>>[C:1]([N:2]([C:3]1:[C:4]([H:43]):[C:5]([H:44]):[C:6]([C:7](=[O:8])[O:9][C:10]2([H:45])[C:11]([O:12][H:46])([H:47])[C@@:13]([N:14]3:[C:15]([H:48]):[N:16]:[C:17]4:[C:18]([N:19]([H:49])[H:50]):[N:20]:[C:21]([H:51]):[N:22]:[C:23]:3:4)([H:52])[O:24][C@@:25]2([O:26][P:27](=[O:28])([O:29][H:53])[O:41][H:64])[H:57]):[C:39]([H:58]):[C:40]:1[H:59])[H:60])([H:61])([H:62])[H:63].[H][O:30][P:31](=[O:32])([O:33][H:54])[O:42][H:66].[H][O:34][P:35](=[O:36])([O:37][H:55])[O:38][H:56]