SMIRKS
[C:1]([C@@:2]([N:3]([C@@:4]([C:5]([C:6]([C:7]([N:8]([C:9](=[N:10][H:49])[N:11]([P:12](=[O:13])([O:14][H:50])[O:15][H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([C:16](=[O:17])[O:18][H:60])[H:61])[H:62])([C:19](=[O:20])[O:21][H:63])[H:64])([H:65])([H:66])[H:67].[H][O:43][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:76])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:68]):[N:24]:[C:23]([N:22]([H:81])[H:82]):[C:28]:3:[N:29]:[C:30]:2[H:69])([H:70])[C@@:47]([O:48][H:79])([H:80])[C@@:45]1([O:46][H:77])[H:78])([H:74])[H:75])(=[O:38])[O:39][H:71])(=[O:42])[O:44][H:73]>>[H][N:11]([C:9]([N:8]([C:7]([C:6]([C:5]([C@:4]([N:3]([C@:2]([C:1]([H:65])([H:66])[H:67])([C:19](=[O:20])[O:21][H:63])[H:64])[H:62])([C:16](=[O:17])[O:18][H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])[H:53])=[N:10][H:49])[H:52].[P:12](=[O:13])([O:14][H:50])([O:15][H:51])[O:43][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:76])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:68]):[N:24]:[C:23]([N:22]([H:81])[H:82]):[C:28]:3:[N:29]:[C:30]:2[H:69])([H:70])[C@@:47]([O:48][H:79])([H:80])[C@@:45]1([O:46][H:77])[H:78])([H:74])[H:75])(=[O:38])[O:39][H:71])(=[O:42])[O:44][H:73]
Derived Operators
EVODEX.1-E176 - Reaction Operator E
[#6:10]-[#7:12](-[#15:13](=[#8:14])(-[#8:15])-[#8:16])-[H:48].([#15:36]-[#8:38]-[H].[#8:41]-[#6@@:40](-[#6@@:29])(-[H:67])-[#6@:42](-[#6@:27])(-[#8:43])-[H:69])>>[#6:10]-[#7:12](-[H:48])-[H].([#15:13](=[#8:14])(-[#8:15])(-[#8:16])-[#8:38]-[#15:36].[#8:43]-[#6@:42](-[#6@:27])(-[H:69])-[#6@@:40](-[#6@@:29])(-[#8:41])-[H:67])
EVODEX.1-C993 - Reaction Operator C
([#7:44]-[#15:45].[#6@:5].[#6@:37]).[H]-[#8:103]>>([H]-[#7:44].[#6@@:37].[#6@@:5]).[#15:45]-[#8:103]
EVODEX.1-N1672 - Reaction Operator N
([#6:1]-[#6@@:2](-[#7:3]-[#6@@:4](-[#6:5])(-[#6:16])-[H:61])(-[#6:19])-[H:64].[#6:9]-[#7:11](-[#15:12](=[#8:13])(-[#8:14])-[#8:15])-[H:52]).[H]-[#8:43]-[#15:41]>>([H]-[#7:11](-[#6:9])-[H:52].[#6:5]-[#6@:4](-[#7:3]-[#6@:2](-[#6:1])(-[#6:19])-[H:64])(-[#6:16])-[H:61]).[#15:12](=[#8:13])(-[#8:14])(-[#8:15])-[#8:43]-[#15:41]
EVODEX.1-Em561 - Reaction Operator Em
[#6:14]-[#7:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20].[H]-[#8:45]-[#15:43]>>[H]-[#7:16]-[#6:14].[#15:17](=[#8:18])(-[#8:19])(-[#8:20])-[#8:45]-[#15:43]
EVODEX.1-Nm507 - Reaction Operator Nm
[#6:14]-[#7:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:20].[H]-[#8:45]-[#15:43]>>[H]-[#7:16]-[#6:14].[#15:17](=[#8:18])(-[#8:19])(-[#8:20])-[#8:45]-[#15:43]
Source Full Reactions
EVODEX.1-R4209
[C:1]([C@@:2]([N:3]([C@@:4]([C:5]([C:6]([C:7]([N:8]([C:9](=[N:10][H:49])[N:11]([P:12](=[O:13])([O:14][H:50])[O:15][H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([C:16](=[O:17])[O:18][H:60])[H:61])[H:62])([C:19](=[O:20])[O:21][H:63])[H:64])([H:65])([H:66])[H:67].[H][O:43][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:76])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:68]):[N:24]:[C:23]([N:22]([H:81])[H:82]):[C:28]:3:[N:29]:[C:30]:2[H:69])([H:70])[C@@:47]([O:48][H:79])([H:80])[C@@:45]1([O:46][H:77])[H:78])([H:74])[H:75])(=[O:38])[O:39][H:71])(=[O:42])[O:44][H:73]>>[H][N:11]([C:9]([N:8]([C:7]([C:6]([C:5]([C@:4]([N:3]([C@:2]([C:1]([H:65])([H:66])[H:67])([C:19](=[O:20])[O:21][H:63])[H:64])[H:62])([C:16](=[O:17])[O:18][H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])[H:53])=[N:10][H:49])[H:52].[P:12](=[O:13])([O:14][H:50])([O:15][H:51])[O:43][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:76])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:68]):[N:24]:[C:23]([N:22]([H:81])[H:82]):[C:28]:3:[N:29]:[C:30]:2[H:69])([H:70])[C@@:47]([O:48][H:79])([H:80])[C@@:45]1([O:46][H:77])[H:78])([H:74])[H:75])(=[O:38])[O:39][H:71])(=[O:42])[O:44][H:73]