Water → 4-(1-Cyano-1-methylethyl)benzonitrile
Reaction equation
[C-:19]#[N:20].[C-:22]#[N:23].[CH3:1][C:2]([C:3]#[N:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9]([CH3:12])[cH:10][cH:11]1.[O:13]=[CH:14][N:15]([CH3:16])[CH3:17].[OH2:18].[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>>[CH3:1][C:2]([C:3]#[N:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[N:15])[cH:10][cH:11]1Participants
7
Sources & evidence
- ORD record
- ord-881b252936ca4a6f92372b9f50dad70a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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