Benzene → 6-Methyl-2-[2-(trifluoromethyl)[1,1'-biphenyl]-4-yl]-1-benzothiophene

HRID 1201669Notes

Reaction equation

HRID 1201669 reaction equation
[Al:31].[Br:14][c:15]1[cH:16][c:17]([C:27]([F:28])([F:29])[F:30])[c:18](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:19][cH:20]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8]([B:10]([OH:11])[OH:12])[cH:9]2)[cH:13]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](-[c:15]3[cH:16][c:17]([C:27]([F:28])([F:29])[F:30])[c:18](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[cH:9]2)[cH:13]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 5359268AluminumHCID 18379633HCID 18379633, compoundHCID 53398048(6-Methyl-1-benzothiophen-2-yl)boronic acid

Product 1

HCID 684539646-Methyl-2-[2-(trifluoromethyl)[1,1'-biphenyl]-4-yl]-1-benzothiophene

Sources & evidence

ORD record
ord-1110176d630e46efb3c8a7b1bc60b558
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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