Ethanol → 2-Cyano-4'-methylbiphenyl
Reaction equation
[Br:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[CH3:105][CH2:106][OH:107].[CH3:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[CH3:10][c:11]1[cH:12][cH:13][c:14]([B:17]([OH:18])[OH:19])[cH:15][cH:16]1.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[OH:26][OH:27].[Pd:28].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[c:2]1(-[c:14]2[cH:13][cH:12][c:11]([CH3:10])[cH:16][cH:15]2)[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1Participants
10
Sources & evidence
- ORD record
- ord-2d683c24c28f42a2aa4d20a6967abea5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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