Ethanol → Ethyl 7-(4-methylthiophen-2-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate

HRID 183695Notes

Reaction equation

HRID 183695 reaction equation
[B:18]([O-:19])([O-:26])[O:27][c:20]1[s:21][cH:22][c:23]([CH3:25])[cH:24]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[CH:7]=[C:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:9][CH2:10][O:11]2.[C:28](=[O:29])([O-:30])[O-:31].[CH2:35]([OH:36])[CH3:37].[K+:32].[K+:33].[OH2:34].[c:38]1([CH3:39])[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[c:2]1(-[c:20]2[s:21][cH:22][c:23]([CH3:25])[cH:24]2)[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[CH:7]=[C:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:9][CH2:10][O:11]2

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 10709089HCID 10709089, compoundHCID 867561744-Methyl-thiophenyl borate

Product 1

HCID 70162030Ethyl 7-(4-methylthiophen-2-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Sources & evidence

ORD record
ord-6d454953228c468c894e5579a3788edf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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