Ethanol → Methyl 7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate

HRID 2332177Notes

Reaction equation

HRID 2332177 reaction equation
[B:17]([O-:18])([O-:27])[O:28][c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:16]1)[CH:7]=[C:8]([C:12](=[O:13])[O:14][CH3:15])[CH2:9][CH2:10][S: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:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[cH:3][cH:4][c:5]2[c:6]([cH:16]1)[CH:7]=[C:8]([C:12](=[O:13])[O:14][CH3:15])[CH2:9][CH2:10][S:11]2

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 18472606HCID 18472606, compoundHCID 86645335(4-Methoxyphenyl)borate

Product 1

HCID 18472336Methyl 7-(4-methoxyphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate

Sources & evidence

ORD record
ord-4ad04c6f7b054f678c6614f871048c15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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