SMIRKS
[H][N:5]([C@@:4]([C@:2]([C:1]([H:56])([H:57])[H:58])([O:3][H:50])[H:55])([C:6](=[O:7])[O:8][H:53])[H:54])[H:51].[N:19]([C:20]1:[N:21]:[C:22]([H:59]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:60]):[N:28]:2[C@:29]1([H:61])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:62])[O:37][P:38](=[O:39])([O:40][H:63])[O:41][P:42](=[O:43])([O:44][H:64])[O:45][H:65])([H:66])[H:67])([H:68])[C@:46]([O:47][H:69])([H:70])[C@:48]1([O:49][H:71])[H:72])([H:73])[H:74].[N:9]([C@@:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:75])([H:76])[H:77])([H:78])[H:79])([C:16](=[O:17])[O:18][H:80])[H:81])([H:82])[H:83]>>[C:1]([C@:2]([O:3][H:50])([C@:4]([N:5]([C:13]([C:12]([C:11]([C@:10]([N:9]([H:82])[H:83])([C:16](=[O:17])[O:18][H:80])[H:81])([H:78])[H:79])([H:76])[H:77])=[O:14])[H:51])([C:6](=[O:7])[O:8][H:53])[H:54])[H:55])([H:56])([H:57])[H:58].[O:15]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:68])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:59]):[N:21]:[C:20]([N:19]([H:73])[H:74]):[C:25]:3:[N:26]:[C:27]:2[H:60])([H:61])[C@@:48]([O:49][H:71])([H:72])[C@@:46]1([O:47][H:69])[H:70])([H:66])[H:67])(=[O:35])[O:36][H:62])(=[O:39])[O:40][H:63])[H:75].[H][O:41][P:42](=[O:43])([O:44][H:64])[O:45][H:65]
Derived Operators
EVODEX.1-E288 - Reaction Operator E
[#7:11]-[#6@@:12](-[#6:13]-[#6:14]-[#6:15](=[#8:16])-[#8:17]-[H:52])(-[#6:18])-[H:58].[#7:1](-[#6:2])(-[H:70])-[H].([#8:39]-[#15:40](=[#8:41])(-[#8:42])-[#8:43]-[#15:44].[#8:49]-[#6@@:48](-[#6@@:33])(-[H:83])-[#6@:50](-[#6@:31])(-[#8:51])-[H:85])>>[#7:1](-[#6:2])(-[#6:15](-[#6:14]-[#6:13]-[#6@:12](-[#7:11])(-[#6:18])-[H:58])=[#8:16])-[H:70].([#8:17](-[#15:40](-[#8:39])(=[#8:41])-[#8:42])-[H:52].[#8:51]-[#6@:50](-[#6@:31])(-[H:85])-[#6@@:48](-[#6@@:33])(-[#8:49])-[H:83]).[#8:43](-[#15:44])-[H]
EVODEX.1-C1030 - Reaction Operator C
[H]-[#7:3]-[#6@:2].([#15:42]-[#8:45].[#6@:50]-[#6@:52]).([#6:17]-[#8:19].[#6@@:8])>>([#7:3](-[#6@@:2])-[#6:17].[#6@:8]).([#8:19]-[#15:42].[#6@@:52]-[#6@@:50]).[H]-[#8:45]
EVODEX.1-N1430 - Reaction Operator N
[H]-[#7:6](-[#6@@:5](-[#6@:3])(-[#6:7])-[H:57])-[H:54].[#7:10]-[#6@@:11](-[#6:12]-[#6:13]-[#6:14](=[#8:15])-[#8:16]-[H:64])(-[#6:17])-[H:70].([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:84])-[#6@:49](-[#6@:30])(-[#8:50])-[H:86])>>[#7:6](-[#6@@:5](-[#6@:3])(-[#6:7])-[H:57])(-[#6:14](-[#6:13]-[#6:12]-[#6@:11](-[#7:10])(-[#6:17])-[H:70])=[#8:15])-[H:54].([#8:16](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:64].[#8:50]-[#6@:49](-[#6@:30])(-[H:86])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:84]).[H]-[#8:42]-[#15:43]
EVODEX.1-Em45 - Reaction Operator Em
[#6:45]-[#6:47](=[#8:48])-[#8:49].[H]-[#7:57]-[#6:56].[#8:79]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]-[#15:84]>>[#6:45]-[#6:47](=[#8:48])-[#7:57]-[#6:56].[#8:49]-[#15:80](-[#8:79])(=[#8:81])-[#8:82].[H]-[#8:83]-[#15:84]
EVODEX.1-Cm71 - Reaction Operator Cm
[#6:47]-[#8:49].[H]-[#7:57].[#15:80]-[#8:83]>>[#6:47]-[#7:57].[#8:49]-[#15:80].[H]-[#8:83]
EVODEX.1-Nm50 - Reaction Operator Nm
[#6:45]-[#6:47](=[#8:48])-[#8:49].[H]-[#7:57]-[#6:56].[#8:79]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]-[#15:84]>>[#6:45]-[#6:47](=[#8:48])-[#7:57]-[#6:56].[#8:49]-[#15:80](-[#8:79])(=[#8:81])-[#8:82].[H]-[#8:83]-[#15:84]
Source Full Reactions
EVODEX.1-R7670
[H][N:5]([C@@:4]([C@:2]([C:1]([H:56])([H:57])[H:58])([O:3][H:50])[H:55])([C:6](=[O:7])[O:8][H:53])[H:54])[H:51].[N:19]([C:20]1:[N:21]:[C:22]([H:59]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:60]):[N:28]:2[C@:29]1([H:61])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:62])[O:37][P:38](=[O:39])([O:40][H:63])[O:41][P:42](=[O:43])([O:44][H:64])[O:45][H:65])([H:66])[H:67])([H:68])[C@:46]([O:47][H:69])([H:70])[C@:48]1([O:49][H:71])[H:72])([H:73])[H:74].[N:9]([C@@:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:75])([H:76])[H:77])([H:78])[H:79])([C:16](=[O:17])[O:18][H:80])[H:81])([H:82])[H:83]>>[C:1]([C@:2]([O:3][H:50])([C@:4]([N:5]([C:13]([C:12]([C:11]([C@:10]([N:9]([H:82])[H:83])([C:16](=[O:17])[O:18][H:80])[H:81])([H:78])[H:79])([H:76])[H:77])=[O:14])[H:51])([C:6](=[O:7])[O:8][H:53])[H:54])[H:55])([H:56])([H:57])[H:58].[O:15]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:68])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:59]):[N:21]:[C:20]([N:19]([H:73])[H:74]):[C:25]:3:[N:26]:[C:27]:2[H:60])([H:61])[C@@:48]([O:49][H:71])([H:72])[C@@:46]1([O:47][H:69])[H:70])([H:66])[H:67])(=[O:35])[O:36][H:62])(=[O:39])[O:40][H:63])[H:75].[H][O:41][P:42](=[O:43])([O:44][H:64])[O:45][H:65]