SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:53])[O:19][P:20](=[O:21])([O:22][H:54])[O:23][P:24](=[O:25])([O:26][H:55])[O:27][H:56])([H:57])[H:58])([H:59])[C@:28]([O:29][H:60])([H:61])[C@:30]1([O:31][H:62])[H:63])([H:64])[H:65].[H][O:48][C:47]([C@:46]1([H:77])[C@:44]([O:45][H:72])([H:73])[C:43]([H:70])([H:71])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:67]):[N:34]([H:66]):[C:33](=[O:32]):[C:38]:3:[N:39]:[C:40]:2[H:68])([H:69])[O:49]1)([H:75])[H:76]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:59])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:64])[H:65]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]([O:31][H:62])([H:63])[C@@:28]1([O:29][H:60])[H:61])([H:57])[H:58])(=[O:17])[O:18][H:53])(=[O:21])[O:22][H:54].[P:24](=[O:25])([O:26][H:55])([O:27][H:56])[O:48][C:47]([C@:46]1([H:77])[C@:44]([O:45][H:72])([H:73])[C:43]([H:70])([H:71])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:67]):[N:34]([H:66]):[C:33](=[O:32]):[C:38]:3:[N:39]:[C:40]:2[H:68])([H:69])[O:49]1)([H:75])[H:76]
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-R3891
[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:53])[O:19][P:20](=[O:21])([O:22][H:54])[O:23][P:24](=[O:25])([O:26][H:55])[O:27][H:56])([H:57])[H:58])([H:59])[C@:28]([O:29][H:60])([H:61])[C@:30]1([O:31][H:62])[H:63])([H:64])[H:65].[H][O:48][C:47]([C@:46]1([H:77])[C@:44]([O:45][H:72])([H:73])[C:43]([H:70])([H:71])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:67]):[N:34]([H:66]):[C:33](=[O:32]):[C:38]:3:[N:39]:[C:40]:2[H:68])([H:69])[O:49]1)([H:75])[H:76]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:59])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:64])[H:65]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]([O:31][H:62])([H:63])[C@@:28]1([O:29][H:60])[H:61])([H:57])[H:58])(=[O:17])[O:18][H:53])(=[O:21])[O:22][H:54].[P:24](=[O:25])([O:26][H:55])([O:27][H:56])[O:48][C:47]([C@:46]1([H:77])[C@:44]([O:45][H:72])([H:73])[C:43]([H:70])([H:71])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:67]):[N:34]([H:66]):[C:33](=[O:32]):[C:38]:3:[N:39]:[C:40]:2[H:68])([H:69])[O:49]1)([H:75])[H:76]