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-:96]#[N:97].[C-:99]#[N:100].[CH3:14][N:15]([CH3:16])[CH:17]=[O:18].[Pd:19].[Zn+2:98].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1.[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([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)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([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)[cH:91][cH:92][cH:93][cH:94][cH:95]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
7
Sources & evidence
- ORD record
- ord-25df6584354e4e789aabdf24caa9be74
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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