Ethanol → 1-(4-methylphenyl)isoquinoline
Reaction equation
[CH3:106][CH2:107][OH:108].[CH3:1][c:2]1[cH:3][cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[Cl:11][c:12]1[n:13][cH:14][cH:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12.[Pd:29].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:12]2[n:13][cH:14][cH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-4adf3f5b0d0046cd97880eddccc41fca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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