SMIRKS
[C:1]([C@@:2]([O:3][H:55])([C@@:4]1([H:56])[C:5]([H:57])([H:58])[C:6]([H:59])([H:60])[C@@:7]2([H:61])[C@:8]3([H:62])[C:9]([H:63])([H:64])[C:10]([H:65])=[C:11]4[C:12]([H:66])([H:67])[C@:13]([O:14][S:15](=[O:16])(=[O:17])[O:18][H:68])([H:69])[C:19]([H:70])([H:71])[C:20]([H:72])([H:73])[C@:21]4([C:22]([H:74])([H:75])[H:76])[C@@:23]3([H:77])[C:24]([H:78])([H:79])[C:25]([H:80])([H:81])[C@:26]12[C:27]([H:82])([H:83])[H:84])[H:85])([H:86])([H:87])[H:88].[H][O:45][P:43]([O:42][C:41]([C@@:40]1([H:96])[O:39][C@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([H:89]):[N:30]:[C:29]([N:28]([H:102])[H:103]):[C:34]:3:[N:35]:[C:36]:2[H:90])([H:91])[C@@:53]([O:54][H:100])([H:101])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:97])[O:52][H:98])[H:99])([H:94])[H:95])(=[O:44])[O:46][H:93]>>[H][O:14][C@:13]1([H:69])[C:12]([H:66])([H:67])[C:11]2=[C:10]([H:65])[C:9]([H:63])([H:64])[C@@:8]3([H:62])[C@:7]4([H:61])[C:6]([H:59])([H:60])[C:5]([H:57])([H:58])[C@@:4]([C@@:2]([C:1]([H:86])([H:87])[H:88])([O:3][H:55])[H:85])([H:56])[C@@:26]4([C:27]([H:82])([H:83])[H:84])[C:25]([H:80])([H:81])[C:24]([H:78])([H:79])[C@:23]3([H:77])[C@@:21]2([C:22]([H:74])([H:75])[H:76])[C:20]([H:72])([H:73])[C:19]1([H:70])[H:71].[S:15](=[O:16])(=[O:17])([O:18][H:68])[O:45][P:43]([O:42][C:41]([C@@:40]1([H:96])[O:39][C@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([H:89]):[N:30]:[C:29]([N:28]([H:102])[H:103]):[C:34]:3:[N:35]:[C:36]:2[H:90])([H:91])[C@@:53]([O:54][H:100])([H:101])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:97])[O:52][H:98])[H:99])([H:94])[H:95])(=[O:44])[O:46][H:93]
Derived Operators
EVODEX.1-E151 - Reaction Operator E
[#6:11]-[#8:12]-[#16:13](=[#8:14])(=[#8:15])-[#8:16].([#15:40]-[#8:42]-[H].[#8:45]-[#6@@:44](-[#6@@:37])(-[H:80])-[#6@:50](-[#6@:35])(-[#8:51])-[H:82])>>[#6:11]-[#8:12]-[H].([#16:13](=[#8:14])(=[#8:15])(-[#8:16])-[#8:42]-[#15:40].[#8:51]-[#6@:50](-[#6@:35])(-[H:82])-[#6@@:44](-[#6@@:37])(-[#8:45])-[H:80])
EVODEX.1-C1361 - Reaction Operator C
([#8:14]-[#16:15].[#6@@:7](-[#6@:8]-[#6@@:23]-[#6@:21])-[#6@:26]).[H]-[#8:45]>>([H]-[#8:14].[#6@@:8](-[#6@:7]-[#6@@:26])-[#6@:23]-[#6@@:21]).[#16:15]-[#8:45]
EVODEX.1-N1724 - Reaction Operator N
([#6:6]-[#6@@:7]1(-[H:61])-[#6@:8](-[H:62])(-[#6:9])-[#6@:23](-[#6@:21](-[#6:11])(-[#6:20])-[#6:22])(-[H:77])-[#6:24]-[#6:25]-[#6@@:26]-1(-[#6@@:4])-[#6:27].[#8:14](-[#6@:13])-[#16:15](=[#8:16])(=[#8:17])-[#8:18]).[H]-[#8:45]-[#15:43]>>([H]-[#8:14]-[#6@:13].[#6:11]-[#6@:21](-[#6@@:23]1(-[#6@:8](-[#6:9])(-[H:62])-[#6@:7](-[H:61])(-[#6:6])-[#6@:26](-[#6@@:4])(-[#6:27])-[#6:25]-[#6:24]-1)-[H:77])(-[#6:22])-[#6:20]).[#16:15](=[#8:16])(=[#8:17])(-[#8:18])-[#8:45]-[#15:43]
EVODEX.1-Em112 - Reaction Operator Em
[H]-[#8:18]-[#15:16].[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15:16]-[#8:18]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]
EVODEX.1-Nm143 - Reaction Operator Nm
[H]-[#8:18]-[#15:16].[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15:16]-[#8:18]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]
Source Full Reactions
EVODEX.1-R4583
[C:1]([C@@:2]([O:3][H:55])([C@@:4]1([H:56])[C:5]([H:57])([H:58])[C:6]([H:59])([H:60])[C@@:7]2([H:61])[C@:8]3([H:62])[C:9]([H:63])([H:64])[C:10]([H:65])=[C:11]4[C:12]([H:66])([H:67])[C@:13]([O:14][S:15](=[O:16])(=[O:17])[O:18][H:68])([H:69])[C:19]([H:70])([H:71])[C:20]([H:72])([H:73])[C@:21]4([C:22]([H:74])([H:75])[H:76])[C@@:23]3([H:77])[C:24]([H:78])([H:79])[C:25]([H:80])([H:81])[C@:26]12[C:27]([H:82])([H:83])[H:84])[H:85])([H:86])([H:87])[H:88].[H][O:45][P:43]([O:42][C:41]([C@@:40]1([H:96])[O:39][C@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([H:89]):[N:30]:[C:29]([N:28]([H:102])[H:103]):[C:34]:3:[N:35]:[C:36]:2[H:90])([H:91])[C@@:53]([O:54][H:100])([H:101])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:97])[O:52][H:98])[H:99])([H:94])[H:95])(=[O:44])[O:46][H:93]>>[H][O:14][C@:13]1([H:69])[C:12]([H:66])([H:67])[C:11]2=[C:10]([H:65])[C:9]([H:63])([H:64])[C@@:8]3([H:62])[C@:7]4([H:61])[C:6]([H:59])([H:60])[C:5]([H:57])([H:58])[C@@:4]([C@@:2]([C:1]([H:86])([H:87])[H:88])([O:3][H:55])[H:85])([H:56])[C@@:26]4([C:27]([H:82])([H:83])[H:84])[C:25]([H:80])([H:81])[C:24]([H:78])([H:79])[C@:23]3([H:77])[C@@:21]2([C:22]([H:74])([H:75])[H:76])[C:20]([H:72])([H:73])[C:19]1([H:70])[H:71].[S:15](=[O:16])(=[O:17])([O:18][H:68])[O:45][P:43]([O:42][C:41]([C@@:40]1([H:96])[O:39][C@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([H:89]):[N:30]:[C:29]([N:28]([H:102])[H:103]):[C:34]:3:[N:35]:[C:36]:2[H:90])([H:91])[C@@:53]([O:54][H:100])([H:101])[C@@:47]1([O:48][P:49](=[O:50])([O:51][H:97])[O:52][H:98])[H:99])([H:94])[H:95])(=[O:44])[O:46][H:93]