SMIRKS
[H][N:5]([C@@:4]([C@@:2]([C:1]([H:59])([H:60])[H:61])([O:3][H:53])[H:58])([C:6](=[O:7])[O:8][H:56])[H:57])[H:54].[N:22]([C:23]1:[N:24]:[C:25]([H:62]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:63]):[N:31]:2[C@:32]1([H:64])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:65])[O:40][P:41](=[O:42])([O:43][H:66])[O:44][P:45](=[O:46])([O:47][H:67])[O:48][H:68])([H:69])[H:70])([H:71])[C@:49]([O:50][H:72])([H:73])[C@:51]1([O:52][H:74])[H:75])([H:76])[H:77].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:78]):[C:14]([H:79]):[C:15]([O:16][H:80]):[C:17]([H:81]):[C:18]:1[H:82])([H:83])[H:84])([C:19](=[O:20])[O:21][H:85])[H:86])([H:87])[H:88]>>[C:1]([C@@:2]([O:3][H:53])([C@:4]([N:5]([C:19]([C@@:10]([N:9]([H:87])[H:88])([C:11]([C:12]1:[C:13]([H:78]):[C:14]([H:79]):[C:15]([O:16][H:80]):[C:17]([H:81]):[C:18]:1[H:82])([H:83])[H:84])[H:86])=[O:20])[H:54])([C:6](=[O:7])[O:8][H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[H][O:44][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:71])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:62]):[N:24]:[C:23]([N:22]([H:76])[H:77]):[C:28]:3:[N:29]:[C:30]:2[H:63])([H:64])[C@@:51]([O:52][H:74])([H:75])[C@@:49]1([O:50][H:72])[H:73])([H:69])[H:70])(=[O:38])[O:39][H:65])(=[O:42])[O:43][H:66].[O:21]([P:45](=[O:46])([O:47][H:67])[O:48][H:68])[H:85]
Derived Operators
EVODEX.1-E139 - Reaction Operator E
[#7:121](-[#6@@:120])(-[H:267])-[H].[#8:178]-[#15:179](=[#8:180])(-[#8:181])-[#8:182]-[#15:183].[#8:195]=[#6:196](-[#8:197]-[H:374])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267].[#8:178]-[#15:179](=[#8:180])(-[#8:181])-[#8:197]-[H:374].[#8:182](-[#15:183])-[H]
EVODEX.1-C1481 - Reaction Operator C
[H]-[#7:5]-[#6@@:4].([#8:44]-[#15:45].[#6@:49]-[#6@:51]).[#6:19]-[#8:21]>>[#7:5](-[#6@:4])-[#6:19].([H]-[#8:44].[#6@@:51]-[#6@@:49]).[#8:21]-[#15:45]
EVODEX.1-N1898 - Reaction Operator N
[H]-[#7:5](-[#6@@:4](-[#6@@:2])(-[#6:6])-[H:57])-[H:54].([#15:41]-[#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48].[#8:50]-[#6@@:49](-[#6@@:34])(-[H:73])-[#6@:51](-[#6@:32])(-[#8:52])-[H:75]).[#6:19](-[#6@@:10])(=[#8:20])-[#8:21]-[H:85]>>[#7:5](-[#6@@:4](-[#6@@:2])(-[#6:6])-[H:57])(-[#6:19](-[#6@@:10])=[#8:20])-[H:54].([H]-[#8:44]-[#15:41].[#8:52]-[#6@:51](-[#6@:32])(-[H:75])-[#6@@:49](-[#6@@:34])(-[#8:50])-[H:73]).[#8:21](-[#15:45](=[#8:46])(-[#8:47])-[#8:48])-[H:85]
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-R7821
[H][N:5]([C@@:4]([C@@:2]([C:1]([H:59])([H:60])[H:61])([O:3][H:53])[H:58])([C:6](=[O:7])[O:8][H:56])[H:57])[H:54].[N:22]([C:23]1:[N:24]:[C:25]([H:62]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:63]):[N:31]:2[C@:32]1([H:64])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:65])[O:40][P:41](=[O:42])([O:43][H:66])[O:44][P:45](=[O:46])([O:47][H:67])[O:48][H:68])([H:69])[H:70])([H:71])[C@:49]([O:50][H:72])([H:73])[C@:51]1([O:52][H:74])[H:75])([H:76])[H:77].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:78]):[C:14]([H:79]):[C:15]([O:16][H:80]):[C:17]([H:81]):[C:18]:1[H:82])([H:83])[H:84])([C:19](=[O:20])[O:21][H:85])[H:86])([H:87])[H:88]>>[C:1]([C@@:2]([O:3][H:53])([C@:4]([N:5]([C:19]([C@@:10]([N:9]([H:87])[H:88])([C:11]([C:12]1:[C:13]([H:78]):[C:14]([H:79]):[C:15]([O:16][H:80]):[C:17]([H:81]):[C:18]:1[H:82])([H:83])[H:84])[H:86])=[O:20])[H:54])([C:6](=[O:7])[O:8][H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[H][O:44][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:71])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:62]):[N:24]:[C:23]([N:22]([H:76])[H:77]):[C:28]:3:[N:29]:[C:30]:2[H:63])([H:64])[C@@:51]([O:52][H:74])([H:75])[C@@:49]1([O:50][H:72])[H:73])([H:69])[H:70])(=[O:38])[O:39][H:65])(=[O:42])[O:43][H:66].[O:21]([P:45](=[O:46])([O:47][H:67])[O:48][H:68])[H:85]