SMIRKS
[C:1]([C:2]1:[C:3]([H:46]):[N:4]([C@@:5]2([H:47])[C:6]([H:48])([H:49])[C@@:7]([O:8][H:50])([H:51])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:52])[O:15][P:16](=[O:17])([O:18][H:53])[O:19][C@@:20]3([H:54])[O:21][C@@:22]([C:23]([H:55])([H:56])[H:57])([H:58])[C@:24]([O:25][H:59])([H:60])[C:26](=[O:27])[C@:28]3([O:29][H:61])[H:62])([H:63])[H:64])([H:65])[O:30]2):[C:31](=[O:32]):[N:33]([H:66]):[C:34]:1=[O:35])([H:67])([H:68])[H:69].[H][C@:37]([N:36]([H:77])[H:78])([C:38]([C:39]([C:40](=[O:41])[O:42][H:70])([H:71])[H:72])([H:73])[H:74])[C:43](=[O:44])[O:45][H:75]>>[H][C@:26]1([N:36]([H:77])[H:78])[C@@:24]([O:25][H:59])([H:60])[C@:22]([C:23]([H:55])([H:56])[H:57])([H:58])[O:21][C@@:20]([O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]2([H:65])[C@:7]([O:8][H:50])([H:51])[C:6]([H:48])([H:49])[C@@:5]([N:4]3:[C:3]([H:46]):[C:2]([C:1]([H:67])([H:68])[H:69]):[C:34](=[O:35]):[N:33]([H:66]):[C:31]:3=[O:32])([H:47])[O:30]2)([H:63])[H:64])(=[O:13])[O:14][H:52])(=[O:17])[O:18][H:53])([H:54])[C@@:28]1([O:29][H:61])[H:62].[O:27]=[C:37]([C:38]([C:39]([C:40](=[O:41])[O:42][H:70])([H:71])[H:72])([H:73])[H:74])[C:43](=[O:44])[O:45][H:75]
Derived Operators
EVODEX.1-E274 - Reaction Operator E
[#6:6](-[#6@:5])(=[#8:7])-[#6@@:8].[#7:41](-[#6@@:42](-[#6:43])(-[#6:48]=[#8:49])-[H])(-[H:81])-[H:82]>>[#7:41](-[#6@@:6](-[#6@:5])(-[H])-[#6@@:8])(-[H:81])-[H:82].[#8:7]=[#6:42](-[#6:43])-[#6:48]=[#8:49]
EVODEX.1-C1291 - Reaction Operator C
([#6:26](-[#6@:24]-[#6@@:22])(=[#8:27])-[#6@:28].[#6@@:7]).[H]-[#6@:37]-[#7:36]>>([H]-[#6@:26](-[#7:36])(-[#6@@:24]-[#6@:22])-[#6@@:28].[#6@:7]).[#8:27]=[#6:37]
EVODEX.1-N1607 - Reaction Operator N
([#6:6]-[#6@@:7](-[#8:8])(-[H:51])-[#6@:9].[#8:21]1-[#6@@:20]-[#6@@:28](-[#6:26](-[#6@@:24](-[#6@:22]-1(-[#6:23])-[H:58])(-[#8:25])-[H:60])=[#8:27])(-[#8:29])-[H:62]).[H]-[#6@:37](-[#7:36](-[H:77])-[H:78])(-[#6:38])-[#6:43]>>([H]-[#6@:26]1(-[#7:36](-[H:77])-[H:78])-[#6@@:24](-[#8:25])(-[H:60])-[#6@:22](-[#6:23])(-[H:58])-[#8:21]-[#6@@:20]-[#6@@:28]-1(-[#8:29])-[H:62].[#8:8]-[#6@@:7](-[#6@:9])(-[H:51])-[#6:6]).[#8:27]=[#6:37](-[#6:38])-[#6:43]
EVODEX.1-Em543 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:8]=[#8:9].[#8:11]=[#6:12](-[#6:13])-[#6:19]>>[#6:2](-[#6:3])(-[#6:8]=[#8:9])=[#8:11].[H]-[#6:12](-[#7:1])(-[#6:13])-[#6:19]
EVODEX.1-Cm49 - Reaction Operator Cm
[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]
EVODEX.1-Nm75 - Reaction Operator Nm
[H]-[#6:14](-[#7:13])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6:8](-[#6:7])(-[#6:10])-[#7:13].[#8:9]=[#6:14](-[#6:15])-[#6:21]
Source Full Reactions
EVODEX.1-R3853
[C:1]([C:2]1:[C:3]([H:46]):[N:4]([C@@:5]2([H:47])[C:6]([H:48])([H:49])[C@@:7]([O:8][H:50])([H:51])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:52])[O:15][P:16](=[O:17])([O:18][H:53])[O:19][C@@:20]3([H:54])[O:21][C@@:22]([C:23]([H:55])([H:56])[H:57])([H:58])[C@:24]([O:25][H:59])([H:60])[C:26](=[O:27])[C@:28]3([O:29][H:61])[H:62])([H:63])[H:64])([H:65])[O:30]2):[C:31](=[O:32]):[N:33]([H:66]):[C:34]:1=[O:35])([H:67])([H:68])[H:69].[H][C@:37]([N:36]([H:77])[H:78])([C:38]([C:39]([C:40](=[O:41])[O:42][H:70])([H:71])[H:72])([H:73])[H:74])[C:43](=[O:44])[O:45][H:75]>>[H][C@:26]1([N:36]([H:77])[H:78])[C@@:24]([O:25][H:59])([H:60])[C@:22]([C:23]([H:55])([H:56])[H:57])([H:58])[O:21][C@@:20]([O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]2([H:65])[C@:7]([O:8][H:50])([H:51])[C:6]([H:48])([H:49])[C@@:5]([N:4]3:[C:3]([H:46]):[C:2]([C:1]([H:67])([H:68])[H:69]):[C:34](=[O:35]):[N:33]([H:66]):[C:31]:3=[O:32])([H:47])[O:30]2)([H:63])[H:64])(=[O:13])[O:14][H:52])(=[O:17])[O:18][H:53])([H:54])[C@@:28]1([O:29][H:61])[H:62].[O:27]=[C:37]([C:38]([C:39]([C:40](=[O:41])[O:42][H:70])([H:71])[H:72])([H:73])[H:74])[C:43](=[O:44])[O:45][H:75]