SMIRKS
[C:1]([C:2]([C:3]([S:4][C:5]([C@:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([C@:12]([N:13]([H:65])[H:66])([C:14](=[O:15])[O:16][H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([C:17](=[O:18])[N:19]([C:20]([C:21](=[O:22])[O:23][H:74])([H:75])[H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])([H:86])[H:87].[H][N:33]([C:32]([C:31]([C:30]([N:29]([C:28]([C:27]([C:26]([C:25]([N:24]([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])[H:88].[N:34]([C:35]1:[N:36]:[C:37]([H:107]):[N:38]:[C:39]2:[C:40]:1:[N:41]:[C:42]([H:108]):[N:43]:2[C@:44]1([H:109])[O:45][C@@:46]([C:47]([O:48][P:49](=[O:50])([O:51][H:110])[O:52][P:53](=[O:54])([O:55][H:111])[O:56][P:57](=[O:58])([O:59][H:112])[O:60][H:113])([H:114])[H:115])([H:116])[C@:61]([O:62][H:117])([H:118])[C@:63]1([O:64][H:119])[H:120])([H:121])[H:122]>>[C:1]([C:2]([C:3]([S:4][C:5]([C@:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([C@:12]([N:13]([H:65])[H:66])([C:14](=[O:15])[O:16][H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([C:17](=[O:18])[N:19]([C:20]([C:21](=[O:22])[N:33]([C:32]([C:31]([C:30]([N:29]([C:28]([C:27]([C:26]([C:25]([N:24]([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])[H:88])([H:75])[H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])([H:86])[H:87].[O:23]([P:53]([O:52][P:49]([O:48][C:47]([C@@:46]1([H:116])[O:45][C@:44]([N:43]2:[C:39]3:[N:38]:[C:37]([H:107]):[N:36]:[C:35]([N:34]([H:121])[H:122]):[C:40]:3:[N:41]:[C:42]:2[H:108])([H:109])[C@@:63]([O:64][H:119])([H:120])[C@@:61]1([O:62][H:117])[H:118])([H:114])[H:115])(=[O:50])[O:51][H:110])(=[O:54])[O:55][H:111])[H:74].[H][O:56][P:57](=[O:58])([O:59][H:112])[O:60][H:113]
Derived Operators
EVODEX.1-E137 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#8:5]-[H:51].([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:67])-[#6@:49](-[#6@:30])(-[#8:50])-[H:69]).[#7:6](-[#6@:7])(-[H:84])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#7:6](-[#6@:7])-[H:84].[#8:42](-[#15:43])-[H].([#8:5](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:51].[#8:50]-[#6@:49](-[#6@:30])(-[H:69])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:67])
EVODEX.1-C164 - Reaction Operator C
[#6:47]-[#8:49].[H]-[#7:57].([#15:80]-[#8:83].[#6@:88]-[#6@:90])>>[#6:47]-[#7:57].([#8:49]-[#15:80].[#6@@:90]-[#6@@:88]).[H]-[#8:83]
EVODEX.1-N79 - Reaction Operator N
[#6:47](-[#6@@:45])(=[#8:48])-[#8:49]-[H:119].[H]-[#7:57](-[#6@:56])-[H:131].([#8:79]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]-[#15:84].[#8:89]-[#6@@:88](-[#6@@:73])(-[H:150])-[#6@:90](-[#6@:71])(-[#8:91])-[H:152])>>[#6:47](-[#6@@:45])(=[#8:48])-[#7:57](-[#6@:56])-[H:131].([#8:49](-[#15:80](-[#8:79])(=[#8:81])-[#8:82])-[H:119].[#8:91]-[#6@:90](-[#6@:71])(-[H:152])-[#6@@:88](-[#6@@:73])(-[#8:89])-[H:150]).[H]-[#8:83]-[#15:84]
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-R7553
[C:1]([C:2]([C:3]([S:4][C:5]([C@:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([C@:12]([N:13]([H:65])[H:66])([C:14](=[O:15])[O:16][H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([C:17](=[O:18])[N:19]([C:20]([C:21](=[O:22])[O:23][H:74])([H:75])[H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])([H:86])[H:87].[H][N:33]([C:32]([C:31]([C:30]([N:29]([C:28]([C:27]([C:26]([C:25]([N:24]([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])[H:88].[N:34]([C:35]1:[N:36]:[C:37]([H:107]):[N:38]:[C:39]2:[C:40]:1:[N:41]:[C:42]([H:108]):[N:43]:2[C@:44]1([H:109])[O:45][C@@:46]([C:47]([O:48][P:49](=[O:50])([O:51][H:110])[O:52][P:53](=[O:54])([O:55][H:111])[O:56][P:57](=[O:58])([O:59][H:112])[O:60][H:113])([H:114])[H:115])([H:116])[C@:61]([O:62][H:117])([H:118])[C@:63]1([O:64][H:119])[H:120])([H:121])[H:122]>>[C:1]([C:2]([C:3]([S:4][C:5]([C@:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([C@:12]([N:13]([H:65])[H:66])([C:14](=[O:15])[O:16][H:67])[H:68])([H:69])[H:70])([H:71])[H:72])[H:73])([C:17](=[O:18])[N:19]([C:20]([C:21](=[O:22])[N:33]([C:32]([C:31]([C:30]([N:29]([C:28]([C:27]([C:26]([C:25]([N:24]([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])[H:88])([H:75])[H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])([H:86])[H:87].[O:23]([P:53]([O:52][P:49]([O:48][C:47]([C@@:46]1([H:116])[O:45][C@:44]([N:43]2:[C:39]3:[N:38]:[C:37]([H:107]):[N:36]:[C:35]([N:34]([H:121])[H:122]):[C:40]:3:[N:41]:[C:42]:2[H:108])([H:109])[C@@:63]([O:64][H:119])([H:120])[C@@:61]1([O:62][H:117])[H:118])([H:114])[H:115])(=[O:50])[O:51][H:110])(=[O:54])[O:55][H:111])[H:74].[H][O:56][P:57](=[O:58])([O:59][H:112])[O:60][H:113]