Ethanol → 2-Fluoro-4-(2,4-dichlorophenyl)benzonitrile
Reaction equation
[Br:12][c:13]1[cH:14][c:15]([F:21])[c:16]([C:17]#[N:18])[cH:19][cH:20]1.[CH3:113][CH2:114][OH:115].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:1][c:2]1[c:3]([B:9]([OH:10])[OH:11])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[OH2:112].[Pd:35].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[Cl:1][c:2]1[c:3](-[c:13]2[cH:14][c:15]([F:21])[c:16]([C:17]#[N:18])[cH:19][cH:20]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-a46759c7706e463fa429f248b9a3c439
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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