SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C@:11]1([H:43])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:44])[O:19][P:20](=[O:21])([O:22][H:45])[O:23][H:46])([H:47])[H:48])([H:49])[C@:24]([O:25][H:50])([H:51])[C@:26]1([O:27][H:52])[H:53])([H:54])[H:55].[H][O:39][C:38]([C@:37]1([H:66])[C@:35]([O:36][H:61])([H:62])[C:34]([H:59])([H:60])[C@:33]([O:32][P:29](=[O:28])([O:30][H:56])[O:31][H:57])([H:58])[O:40]1)([H:64])[H:65]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:49])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:54])[H:55]):[C:7]:3:[N:8]:[C:9]:2[H:42])([H:43])[C@@:26]([O:27][H:52])([H:53])[C@@:24]1([O:25][H:50])[H:51])([H:47])[H:48])(=[O:17])[O:18][H:44].[P:20](=[O:21])([O:22][H:45])([O:23][H:46])[O:39][C:38]([C@:37]1([H:66])[C@:35]([O:36][H:61])([H:62])[C:34]([H:59])([H:60])[C@:33]([O:32][P:29](=[O:28])([O:30][H:56])[O:31][H:57])([H:58])[O:40]1)([H:64])[H:65]
Derived Operators
EVODEX.1-E315 - Reaction Operator E
[#6:20]-[#6@@:21](-[#8:22])(-[H:36])-[#6@:23]-[#6:24]-[#8:25]-[H].[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8:5]-[#15:6]>>[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8:25]-[#6:24]-[#6@:23]-[#6@:21](-[#8:22])(-[H:36])-[#6:20].[#8:5](-[#15:6])-[H]
EVODEX.1-C22 - Reaction Operator C
([#8:10]-[#15:11].[#6@:15]-[#6@:17]).[H]-[#8:35]>>([H]-[#8:10].[#6@@:17]-[#6@@:15]).[#15:11]-[#8:35]
EVODEX.1-N13 - Reaction Operator N
([#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23].[#8:29]-[#6@@:28](-[#6@@:13])(-[H:74])-[#6@:30](-[#6@:11])(-[#8:31])-[H:76]).[H]-[#8:60]-[#6@:59]>>([H]-[#8:19]-[#15:16].[#8:31]-[#6@:30](-[#6@:11])(-[H:76])-[#6@@:28](-[#6@@:13])(-[#8:29])-[H:74]).[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8:60]-[#6@:59]
EVODEX.1-Em16 - Reaction Operator Em
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
EVODEX.1-Nm19 - Reaction Operator Nm
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
Source Full Reactions
EVODEX.1-R3987
[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C@:11]1([H:43])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:44])[O:19][P:20](=[O:21])([O:22][H:45])[O:23][H:46])([H:47])[H:48])([H:49])[C@:24]([O:25][H:50])([H:51])[C@:26]1([O:27][H:52])[H:53])([H:54])[H:55].[H][O:39][C:38]([C@:37]1([H:66])[C@:35]([O:36][H:61])([H:62])[C:34]([H:59])([H:60])[C@:33]([O:32][P:29](=[O:28])([O:30][H:56])[O:31][H:57])([H:58])[O:40]1)([H:64])[H:65]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:49])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:54])[H:55]):[C:7]:3:[N:8]:[C:9]:2[H:42])([H:43])[C@@:26]([O:27][H:52])([H:53])[C@@:24]1([O:25][H:50])[H:51])([H:47])[H:48])(=[O:17])[O:18][H:44].[P:20](=[O:21])([O:22][H:45])([O:23][H:46])[O:39][C:38]([C@:37]1([H:66])[C@:35]([O:36][H:61])([H:62])[C:34]([H:59])([H:60])[C@:33]([O:32][P:29](=[O:28])([O:30][H:56])[O:31][H:57])([H:58])[O:40]1)([H:64])[H:65]