SMIRKS
[C:1]([N:2]([C:3]([H:51])([H:52])[H:53])[C@@:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:54])[O:10][C:11]([C:12]([N:13]([C:14](=[N:15][H:55])[N:16]([P:17](=[O:18])([O:19][H:56])[O:20][H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([C:21](=[O:22])[O:23][H:66])[H:67])([H:68])([H:69])[H:70].[H][O:45][P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:79])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:71]):[N:26]:[C:25]([N:24]([H:84])[H:85]):[C:30]:3:[N:31]:[C:32]:2[H:72])([H:73])[C@@:49]([O:50][H:82])([H:83])[C@@:47]1([O:48][H:80])[H:81])([H:77])[H:78])(=[O:40])[O:41][H:74])(=[O:44])[O:46][H:76]>>[H][N:16]([C:14]([N:13]([C:12]([C:11]([O:10][P:7]([O:6][C:5]([C@:4]([N:2]([C:1]([H:68])([H:69])[H:70])[C:3]([H:51])([H:52])[H:53])([C:21](=[O:22])[O:23][H:66])[H:67])([H:64])[H:65])(=[O:8])[O:9][H:54])([H:62])[H:63])([H:60])[H:61])[H:59])=[N:15][H:55])[H:58].[P:17](=[O:18])([O:19][H:56])([O:20][H:57])[O:45][P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:79])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:71]):[N:26]:[C:25]([N:24]([H:84])[H:85]):[C:30]:3:[N:31]:[C:32]:2[H:72])([H:73])[C@@:49]([O:50][H:82])([H:83])[C@@:47]1([O:48][H:80])[H:81])([H:77])[H:78])(=[O:40])[O:41][H:74])(=[O:44])[O:46][H:76]
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-C1330 - Reaction Operator C
([#7:16]-[#15:17].[#6@@:4]).[H]-[#8:45]>>([H]-[#7:16].[#6@:4]).[#15:17]-[#8:45]
EVODEX.1-N1674 - Reaction Operator N
([#7:2]-[#6@@:4](-[#6:5])(-[#6:21])-[H:67].[#6:14]-[#7:16](-[#15:17](=[#8:18])(-[#8:19])-[#8:20])-[H:58]).[H]-[#8:45]-[#15:43]>>([H]-[#7:16](-[#6:14])-[H:58].[#6:5]-[#6@:4](-[#7:2])(-[#6:21])-[H:67]).[#15:17](=[#8:18])(-[#8:19])(-[#8:20])-[#8:45]-[#15:43]
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-R4213
[C:1]([N:2]([C:3]([H:51])([H:52])[H:53])[C@@:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:54])[O:10][C:11]([C:12]([N:13]([C:14](=[N:15][H:55])[N:16]([P:17](=[O:18])([O:19][H:56])[O:20][H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([C:21](=[O:22])[O:23][H:66])[H:67])([H:68])([H:69])[H:70].[H][O:45][P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:79])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:71]):[N:26]:[C:25]([N:24]([H:84])[H:85]):[C:30]:3:[N:31]:[C:32]:2[H:72])([H:73])[C@@:49]([O:50][H:82])([H:83])[C@@:47]1([O:48][H:80])[H:81])([H:77])[H:78])(=[O:40])[O:41][H:74])(=[O:44])[O:46][H:76]>>[H][N:16]([C:14]([N:13]([C:12]([C:11]([O:10][P:7]([O:6][C:5]([C@:4]([N:2]([C:1]([H:68])([H:69])[H:70])[C:3]([H:51])([H:52])[H:53])([C:21](=[O:22])[O:23][H:66])[H:67])([H:64])[H:65])(=[O:8])[O:9][H:54])([H:62])[H:63])([H:60])[H:61])[H:59])=[N:15][H:55])[H:58].[P:17](=[O:18])([O:19][H:56])([O:20][H:57])[O:45][P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:79])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:71]):[N:26]:[C:25]([N:24]([H:84])[H:85]):[C:30]:3:[N:31]:[C:32]:2[H:72])([H:73])[C@@:49]([O:50][H:82])([H:83])[C@@:47]1([O:48][H:80])[H:81])([H:77])[H:78])(=[O:40])[O:41][H:74])(=[O:44])[O:46][H:76]