Cyanide → 3-(Hydroxymethyl)-5-(trifluoromethyl)benzonitrile
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:12][OH:13])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[C-:19]#[N:20].[C-:22]#[N:23].[CH3:14][N:15]([CH3:16])[CH:17]=[O:18].[Zn+2:21].[cH:24]1[cH:25][cH:26][c:27]([P:28]([Pd:29]([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)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([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)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([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]1>>[c:2]1([C:14]#[N:15])[cH:3][c:4]([CH2:12][OH:13])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-b0c3a1b1ddaa499e8f7af133b6e897cc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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