Hexane → N-(3-(4-Isopropylphenyl)-4,6-dimethyl-7-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide

HRID 211378Notes

Reaction equation

HRID 211378 reaction equation
[Br:32][c:33]1[s:34][cH:35][c:36]([CH3:38])[n:37]1.[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH3:1][C:2]([CH2:3][C:4](=[O:5])[NH:6][c:7]1[c:8]([CH3:29])[c:9]([B:26]([OH:27])[OH:28])[c:10]2[c:11]([c:24]1[CH3:25])[CH:12]([c:15]1[cH:16][cH:17][c:18]([CH:21]([CH3:22])[CH3:23])[cH:19][cH:20]1)[CH2:13][O:14]2)([CH3:30])[CH3:31].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50]>>[CH3:1][C:2]([CH2:3][C:4](=[O:5])[NH:6][c:7]1[c:8]([CH3:29])[c:9](-[c:33]2[s:34][cH:35][c:36]([CH3:38])[n:37]2)[c:10]2[c:11]([c:24]1[CH3:25])[CH:12]([c:15]1[cH:16][cH:17][c:18]([CH:21]([CH3:22])[CH3:23])[cH:19][cH:20]1)[CH2:13][O:14]2)([CH3:30])[CH3:31]

Participants

5

Reactant 4

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 5515412-Bromo-4-methyl-1,3-thiazoleHCID 23114225(5-((3,3-Dimethylbutanoyl)amino)-3-(4-isopropylphenyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran-7-yl)boronic acid

Product 1

HCID 23114410N-(3-(4-Isopropylphenyl)-4,6-dimethyl-7-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide

Sources & evidence

ORD record
ord-2bd14b5e886a4ae4ba0250f08b1509a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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