SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:41]):[N:8]:2[C@:9]2([H:42])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:43])[O:17][P:18](=[O:19])([O:20][H:44])[O:21][C:22]3([H:45])[O:23][C@@:24]([C:25]([O:26][H:46])([H:47])[H:48])([H:49])[C@:27]([O:28][H:50])([H:51])[C@@:29]([O:30][H:52])([H:53])[C@@:31]3([O:32][H:54])[H:55])([H:56])[H:57])([H:58])[C@:33]([O:34][H:59])([H:60])[C@:35]2([O:36][H:61])[H:62]):[C:37](=[O:38]):[N:39]:1[H:63])([H:64])[H:65]>>[H]O[C@@:22]1([H:45])[O:23][C@@:24]([C:25]([O:26][H:46])([H:47])[H:48])([H:49])[C@:27]([O:28][H:50])([H:51])[C@@:29]([O:30][H:52])([H:53])[C@@:31]1([O:32][H:54])[H:55].[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:58])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:64])[H:65]):[N:39]([H:63]):[C:37](=[O:38]):[C:5]:3:[N:6]:[C:7]:2[H:41])([H:42])[C@@:35]([O:36][H:61])([H:62])[C@@:33]1([O:34][H:59])[H:60])([H:56])[H:57])(=[O:15])[O:16][H:43])(=[O:19])[O:20][H:44]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E371 - Reaction Operator E
[#15:18]-[#8:21]-[#6:22](-[H:45])(-[#8:23])-[#6@@:31]>>[#8](-[#6@@:22](-[H:45])(-[#8:23])-[#6@@:31])-[H].[#15:18]-[#8:21]-[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-N1784 - Reaction Operator N
([#15:18]-[#8:21]-[#6:22](-[H:45])(-[#8:23])-[#6@@:31].[#8:34]-[#6@@:33](-[#6@@:11])(-[H:60])-[#6@:35](-[#6@:9])(-[#8:36])-[H:62])>>[H]-[#8]-[#6@@:22](-[H:45])(-[#8:23])-[#6@@:31].([H]-[#8:21]-[#15:18].[#8:36]-[#6@:35](-[#6@:9])(-[H:62])-[#6@@:33](-[#6@@:11])(-[#8:34])-[H:60])
EVODEX.1-Em492 - Reaction Operator Em
[#15:18]-[#8:21]-[#6:22](-[#8:23])-[#6:31]>>[H]-[#8]-[#6:22](-[#8:23])-[#6:31].[H]-[#8:21]-[#15:18]
EVODEX.1-Nm443 - Reaction Operator Nm
[#15:18]-[#8:21]-[#6:22](-[#8:23])-[#6:31]>>[H]-[#8]-[#6:22](-[#8:23])-[#6:31].[H]-[#8:21]-[#15:18]
Source Full Reactions
EVODEX.1-R5310
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:41]):[N:8]:2[C@:9]2([H:42])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:43])[O:17][P:18](=[O:19])([O:20][H:44])[O:21][C:22]3([H:45])[O:23][C@@:24]([C:25]([O:26][H:46])([H:47])[H:48])([H:49])[C@:27]([O:28][H:50])([H:51])[C@@:29]([O:30][H:52])([H:53])[C@@:31]3([O:32][H:54])[H:55])([H:56])[H:57])([H:58])[C@:33]([O:34][H:59])([H:60])[C@:35]2([O:36][H:61])[H:62]):[C:37](=[O:38]):[N:39]:1[H:63])([H:64])[H:65].[H][O:40][H:66]>>[C@:22]1([O:40][H:66])([H:45])[O:23][C@@:24]([C:25]([O:26][H:46])([H:47])[H:48])([H:49])[C@:27]([O:28][H:50])([H:51])[C@@:29]([O:30][H:52])([H:53])[C@@:31]1([O:32][H:54])[H:55].[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:58])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:64])[H:65]):[N:39]([H:63]):[C:37](=[O:38]):[C:5]:3:[N:6]:[C:7]:2[H:41])([H:42])[C@@:35]([O:36][H:61])([H:62])[C@@:33]1([O:34][H:59])[H:60])([H:56])[H:57])(=[O:15])[O:16][H:43])(=[O:19])[O:20][H:44]