Ethanol → HCID 178516103, compound
Reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:61][CH2:62][OH:63].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][c:10]([CH:13]2[N:14]([c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[C:15](=[O:28])[CH:16]2[CH2:17][CH2:18][CH:19]([OH:20])[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:11][cH:12]1)(=[O:36])=[O:37].[K+:42].[K+:43].[OH2:64].[OH:44][c:45]1[cH:46][cH:47][c:48]([B:51]([OH:52])[OH:53])[cH:49][cH:50]1.[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[c:7]1(-[c:48]2[cH:47][cH:46][c:45]([OH:44])[cH:50][cH:49]2)[cH:8][cH:9][c:10]([CH:13]2[N:14]([c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[C:15](=[O:28])[CH:16]2[CH2:17][CH2:18][CH:19]([OH:20])[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:11][cH:12]1Participants
9
Sources & evidence
- ORD record
- ord-8a94d614b57a4abba638f47de08e4da7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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