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

HRID 1539321Notes

Reaction equation

HRID 1539321 reaction equation
[B:18]([O-:19])([O-:29])[O:30][c:20]1[cH:21][cH:22][c:23]([O:26][CH2:27][CH3:28])[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:31](=[O:32])([O-:33])[O-:34].[CH2:38]([OH:39])[CH3:40].[K+:35].[K+:36].[OH2:37].[c:41]1([CH3:42])[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[c:2]1(-[c:20]2[cH:21][cH:22][c:23]([O:26][CH2:27][CH3:28])[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 86756168HCID 86756168, compound

Product 1

HCID 10759448Ethyl 7-(4-ethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Sources & evidence

ORD record
ord-fcf5cb12255f4647af632f32dbc63b24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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