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

HRID 1121715Notes

Reaction equation

HRID 1121715 reaction equation
[B:18]([O-:19])([O-:31])[O:32][c:20]1[cH:21][cH:22][c:23]([O:26][C:27]([F:28])([F:29])[F:30])[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:33](=[O:34])([O-:35])[O-:36].[CH2:40]([OH:41])[CH3:42].[K+:37].[K+:38].[OH2:39].[c:43]1([CH3:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1(-[c:20]2[cH:21][cH:22][c:23]([O:26][C:27]([F:28])([F:29])[F:30])[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 867561694-Trifluoromethoxyphenyl borate

Product 1

HCID 18472320Ethyl 7-(4-trifluoromethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Sources & evidence

ORD record
ord-9a5102c66c08430184cba5db5841c04c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…