Methanethiol → 2-[(Methylthio)methyl]-5-[3-[3-(trifluoromethoxy)phenyl]-1-benzofuran-5-yl]-1,3,4-oxadiazole
Reaction equation
[CH3:28][SH:29].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl:1][CH2:2][c:3]1[o:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([c:13](-[c:16]4[cH:17][c:18]([O:22][C:23]([F:24])([F:25])[F:26])[cH:19][cH:20][cH:21]4)[cH:14][o:15]3)[cH:27]2)[n:6][n:7]1.[Na:30].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1>>[CH2:2]([c:3]1[o:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([c:13](-[c:16]4[cH:17][c:18]([O:22][C:23]([F:24])([F:25])[F:26])[cH:19][cH:20][cH:21]4)[cH:14][o:15]3)[cH:27]2)[n:6][n:7]1)[S:29][CH3:28]Participants
6
Sources & evidence
- ORD record
- ord-921f7cacb33e47598eb23c7d79af1b32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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