Ethanol → ethyl 6-(4-methylphenyl)-2H-thiochromene-3-carboxylate

HRID 91562Notes

Reaction equation

HRID 91562 reaction equation
[B:17]([O-:18])([O-:26])[O:27][c:19]1[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]1.[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[S:8][CH2:7][C:6]([C:12](=[O:13])[O:14][CH2:15][CH3:16])=[CH:5]2.[CH3:35][CH2:36][OH:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[OH2:28]>>[c:2]1(-[c:19]2[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[S:8][CH2:7][C:6]([C:12](=[O:13])[O:14][CH2:15][CH3:16])=[CH:5]2

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 18472282HCID 18472282, compoundHCID 866453334-Methylphenyl borate

Product 1

HCID 18472236ethyl 6-(4-methylphenyl)-2H-thiochromene-3-carboxylate

Sources & evidence

ORD record
ord-fd78560e594143628a0ac2b3552fd690
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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