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][H:53])([H:54])[H:55])([H:56])[C@:16]([O:17][P:18](=[O:19])([O:20][H:57])[O:21][P:22](=[O:23])([O:24][H:58])[O:25][P:26](=[O:27])([O:28][H:59])[O:29][H:60])([H:61])[C@:30]1([F:31])[H:62])([H:63])[H:64].[H][O:48][C:47]([C@:46]1([H:75])[C@:44]([O:45][H:70])([H:71])[C:43]([H:68])([H:69])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:65]):[N:34]:[C:33]([N:32]([H:76])[H:77]):[C:38]:3:[N:39]:[C:40]:2[H:66])([H:67])[O:49]1)([H:73])[H:74]>>[H][O:25][P:22]([O:21][P:18]([O:17][C@:16]1([H:61])[C@:13]([C:14]([O:15][H:53])([H:54])[H:55])([H:56])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]1([F:31])[H:62])(=[O:19])[O:20][H:57])(=[O:23])[O:24][H:58].[P:26](=[O:27])([O:28][H:59])([O:29][H:60])[O:48][C:47]([C@:46]1([H:75])[C@:44]([O:45][H:70])([H:71])[C:43]([H:68])([H:69])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:65]):[N:34]:[C:33]([N:32]([H:76])[H:77]):[C:38]:3:[N:39]:[C:40]:2[H:66])([H:67])[O:49]1)([H:73])[H:74]
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-C975 - Reaction Operator C
([#8:14]-[#15:15].[#6@:4].[#6@@:37]).[H]-[#8:39]>>([H]-[#8:14].[#6@@:4].[#6@:37]).[#15:15]-[#8:39]
EVODEX.1-N1623 - Reaction Operator N
([#8:12]1-[#6@:11]-[#6@@:30](-[#6@:16]-[#6@:13]-1(-[#6:14])-[H:56])(-[#9:31])-[H:62].[#15:22]-[#8:25]-[#15:26](=[#8:27])(-[#8:28])-[#8:29]).[H]-[#8:48]-[#6:47]>>([H]-[#8:25]-[#15:22].[#6:14]-[#6@@:13]1(-[#6@:16]-[#6@:30](-[#6@:11]-[#8:12]-1)(-[#9:31])-[H:62])-[H:56]).[#15:26](=[#8:27])(-[#8:28])(-[#8:29])-[#8:48]-[#6:47]
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-R3917
[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][H:53])([H:54])[H:55])([H:56])[C@:16]([O:17][P:18](=[O:19])([O:20][H:57])[O:21][P:22](=[O:23])([O:24][H:58])[O:25][P:26](=[O:27])([O:28][H:59])[O:29][H:60])([H:61])[C@:30]1([F:31])[H:62])([H:63])[H:64].[H][O:48][C:47]([C@:46]1([H:75])[C@:44]([O:45][H:70])([H:71])[C:43]([H:68])([H:69])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:65]):[N:34]:[C:33]([N:32]([H:76])[H:77]):[C:38]:3:[N:39]:[C:40]:2[H:66])([H:67])[O:49]1)([H:73])[H:74]>>[H][O:25][P:22]([O:21][P:18]([O:17][C@:16]1([H:61])[C@:13]([C:14]([O:15][H:53])([H:54])[H:55])([H:56])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]1([F:31])[H:62])(=[O:19])[O:20][H:57])(=[O:23])[O:24][H:58].[P:26](=[O:27])([O:28][H:59])([O:29][H:60])[O:48][C:47]([C@:46]1([H:75])[C@:44]([O:45][H:70])([H:71])[C:43]([H:68])([H:69])[C@@:42]([N:41]2:[C:37]3:[N:36]:[C:35]([H:65]):[N:34]:[C:33]([N:32]([H:76])[H:77]):[C:38]:3:[N:39]:[C:40]:2[H:66])([H:67])[O:49]1)([H:73])[H:74]