SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:42]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:43]):[N:10]:2[C@:11]1([H:44])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:45])[O:19][P:20](=[O:21])([O:22][H:46])[O:23][C@@:24]2([H:47])[O:25][C:26]([H:48])([H:49])[C@:27]([O:28][H:50])([H:51])[C@@:29]([O:30][H:52])([H:53])[C@:31]2([O:32][H:54])[H:55])([H:56])[H:57])([H:58])[C@:33]([O:34][H:59])([H:60])[C@:35]1([O:36][H:61])[H:62])([H:63])[H:64].[H][O:39][P:38](=[O:37])([O:40][H:66])[O:41][H:67]>>[C@:24]1([O:39][P:38](=[O:37])([O:40][H:66])[O:41][H:67])([H:47])[O:25][C:26]([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:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:58])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:42]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:7]:3:[N:8]:[C:9]:2[H:43])([H:44])[C@@:35]([O:36][H:61])([H:62])[C@@:33]1([O:34][H:59])[H:60])([H:56])[H:57])(=[O:17])[O:18][H:45])(=[O:21])[O:22][H:46]
Derived Operators
EVODEX.1-E132 - Reaction Operator E
[#15:20]-[#8:22]-[H].[#15:29]-[#8:32]-[#6@@:33](-[H:61])(-[#8:34])-[#6@:42]>>[#15:20]-[#8:22]-[#6@@:33](-[H:61])(-[#8:34])-[#6@:42].[#15:29]-[#8:32]-[H]
EVODEX.1-C42 - Reaction Operator C
([#8:19]-[#6:20].[#6@:32]-[#6@:34]).[H]-[#8:36]>>[#6:20]-[#8:36].([H]-[#8:19].[#6@@:34]-[#6@@:32])
EVODEX.1-N1208 - Reaction Operator N
([#15:20]-[#8:23]-[#6@@:24](-[H:47])(-[#8:25])-[#6@:31].[#8:34]-[#6@@:33](-[#6@@:13])(-[H:60])-[#6@:35](-[#6@:11])(-[#8:36])-[H:62]).[H]-[#8:39]-[#15:38]>>[#8:39](-[#6@@:24](-[H:47])(-[#8:25])-[#6@:31])-[#15:38].([H]-[#8:23]-[#15:20].[#8:36]-[#6@:35](-[#6@:11])(-[H:62])-[#6@@:33](-[#6@@:13])(-[#8:34])-[H:60])
EVODEX.1-Em100 - Reaction Operator Em
[H]-[#8:33]-[#15:31].[#15:2]-[#8:5]-[#6:6](-[#8:7])-[#6:15]>>[#6:6](-[#8:33]-[#15:31])(-[#8:7])-[#6:15].[H]-[#8:5]-[#15:2]
EVODEX.1-Nm133 - Reaction Operator Nm
[H]-[#8:33]-[#15:31].[#15:2]-[#8:5]-[#6:6](-[#8:7])-[#6:15]>>[#6:6](-[#8:33]-[#15:31])(-[#8:7])-[#6:15].[H]-[#8:5]-[#15:2]
Source Full Reactions
EVODEX.1-R4421
[N:1]([C:2]1:[N:3]:[C:4]([H:42]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:43]):[N:10]:2[C@:11]1([H:44])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:45])[O:19][P:20](=[O:21])([O:22][H:46])[O:23][C@@:24]2([H:47])[O:25][C:26]([H:48])([H:49])[C@:27]([O:28][H:50])([H:51])[C@@:29]([O:30][H:52])([H:53])[C@:31]2([O:32][H:54])[H:55])([H:56])[H:57])([H:58])[C@:33]([O:34][H:59])([H:60])[C@:35]1([O:36][H:61])[H:62])([H:63])[H:64].[H][O:39][P:38](=[O:37])([O:40][H:66])[O:41][H:67]>>[C@:24]1([O:39][P:38](=[O:37])([O:40][H:66])[O:41][H:67])([H:47])[O:25][C:26]([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:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:58])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:42]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:7]:3:[N:8]:[C:9]:2[H:43])([H:44])[C@@:35]([O:36][H:61])([H:62])[C@@:33]1([O:34][H:59])[H:60])([H:56])[H:57])(=[O:17])[O:18][H:45])(=[O:21])[O:22][H:46]