Ethanol → HCID 11485472, compound
Reaction equation
[Br:1][C:2]1=[C:3]([c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]2)[O:4][C:5]2([C:6]1=[O:7])[CH2:8][CH2:9][CH2:10][CH2:11]2.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][OH:46].[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[c:28]1([B:34]([OH:35])[OH:36])[cH:29][cH:30][cH:31][cH:32][cH:33]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([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)[cH:122][cH:123]1>>[C:2]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[C:3]([c:12]2[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:16][cH:17]2)[O:4][C:5]2([C:6]1=[O:7])[CH2:8][CH2:9][CH2:10][CH2:11]2Participants
8
Sources & evidence
- ORD record
- ord-3dd97a3766c64d69b03ff795d09af70e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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