SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:35]):[N:8]:2[C@:9]2([H:36])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:37])[O:17][P:18](=[O:19])([O:20][H:38])[O:21][P:22](=[O:23])([O:24][H:39])[O:25][H:40])([H:41])[H:42])([H:43])[C@:26]([O:27][H:44])([H:45])[C@:28]2([O:29][H:46])[H:47]):[C:30](=[O:31]):[N:32]:1[H:48])([H:49])[H:50]>>[H]O[P:14]([O:13][C:12]([C@@:11]1([H:43])[O:10][C@:9]([N:8]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]:[C:7]:2[H:35])([H:36])[C@@:28]([O:29][H:46])([H:47])[C@@:26]1([O:27][H:44])[H:45])([H:41])[H:42])(=[O:15])[O:16][H:37].[H]O[P:18]([O:17][H])(=[O:19])[O:20][H:38].[H][O:21][P:22](=[O:23])([O:24][H:39])[O:25][H:40]
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-C1444 - Reaction Operator C
([#15:14]-[#8:17]-[#15:18]-[#8:21].[#6@:26]-[#6@:28])>>([H]-[#8]-[#15:14].[#6@@:28]-[#6@@:26]).[H]-[#8]-[#15:18]-[#8:17]-[H].[H]-[#8:21]
EVODEX.1-N1847 - Reaction Operator N
([#8:13]-[#15:14](=[#8:15])(-[#8:16])-[#8:17]-[#15:18](=[#8:19])(-[#8:20])-[#8:21]-[#15:22].[#8:27]-[#6@@:26](-[#6@@:11])(-[H:45])-[#6@:28](-[#6@:9])(-[#8:29])-[H:47])>>([H]-[#8]-[#15:14](-[#8:13])(=[#8:15])-[#8:16].[#8:29]-[#6@:28](-[#6@:9])(-[H:47])-[#6@@:26](-[#6@@:11])(-[#8:27])-[H:45]).[H]-[#8]-[#15:18](-[#8:17]-[H])(=[#8:19])-[#8:20].[H]-[#8:21]-[#15:22]
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-R6634
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:35]):[N:8]:2[C@:9]2([H:36])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:37])[O:17][P:18](=[O:19])([O:20][H:38])[O:21][P:22](=[O:23])([O:24][H:39])[O:25][H:40])([H:41])[H:42])([H:43])[C@:26]([O:27][H:44])([H:45])[C@:28]2([O:29][H:46])[H:47]):[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]:[C:7]([H:35]):[N:8]:2[C@:9]2([H:36])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:37])[O:33][H:51])([H:41])[H:42])([H:43])[C@:26]([O:27][H:44])([H:45])[C@:28]2([O:29][H:46])[H:47]):[C:30](=[O:31]):[N:32]:1[H:48])([H:49])[H:50].[H][O:17][P:18](=[O:19])([O:20][H:38])[O:34][H:53].[H][O:21][P:22](=[O:23])([O:24][H:39])[O:25][H:40]