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

HRID 1127718Notes

Reaction equation

HRID 1127718 reaction equation
[B:18]([O-:19])([O-:27])[O:28][c:20]1[cH:21][cH:22][c:23]([Cl:26])[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:29](=[O:30])([O-:31])[O-:32].[CH2:36]([OH:37])[CH3:38].[K+:33].[K+:34].[OH2:35].[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[c:2]1(-[c:20]2[cH:21][cH:22][c:23]([Cl:26])[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 867561664-Chlorophenyl borate

Product 1

HCID 18472211Ethyl 7-(4-chlorophenyl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Sources & evidence

ORD record
ord-31c1734e7d4644fabb2a43080816eeed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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