Ethanol → 2-(4-Bromophenyl)thiophene-3-carbonitrile
Reaction equation
[Br:9][c:10]1[cH:11][cH:12][c:13]([B:16]([OH:17])[OH:18])[cH:14][cH:15]1.[C:19](=[O:20])([O-:21])[O-:22].[CH2:108]([CH2:109][O:110][CH3:111])[O:112][CH3:113].[CH3:105][CH2:106][OH:107].[I:1][c:2]1[s:3][cH:4][cH:5][c:6]1[C:7]#[N:8].[K+:23].[K+:24].[N:25]#[N:26].[OH2:104].[Pd:27].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:2]1(-[c:13]2[cH:12][cH:11][c:10]([Br:9])[cH:15][cH:14]2)[s:3][cH:4][cH:5][c:6]1[C:7]#[N:8]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-45cbb307ed384adaabdebbae186252ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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