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

HRID 2148055Notes

Reaction equation

HRID 2148055 reaction equation
[B:18]([O-:19])([O-:28])[O:29][c:20]1[cH:21][cH:22][c:23]([CH2:26][CH3:27])[cH:24][cH:25]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:30](=[O:31])([O-:32])[O-:33].[CH2:37]([OH:38])[CH3:39].[K+:34].[K+:35].[OH2:36].[c:40]1([CH3:41])[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[c:2]1(-[c:20]2[cH:21][cH:22][c:23]([CH2:26][CH3:27])[cH:24][cH:25]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 867561644-Ethylphenyl borate

Product 1

HCID 18472614Ethyl 7-(4-ethylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Sources & evidence

ORD record
ord-5fddd8aeae18470193531104204407bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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