Methanol → (RS)-4-[2-(4,4-dimethyl-thiochroman-6-yl)-heptyloxy]-benzoic acid

HRID 1539229Notes

Reaction equation

HRID 1539229 reaction equation
[CH3:1][C:2]1([CH3:30])[CH2:3][CH2:4][S:5][c:6]2[cH:7][cH:8][c:9]([CH:12]([CH2:13][O:14][c:15]3[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]3)[CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[cH:10][c:11]21.[CH3:34][OH:35].[Li+:33].[OH-:32].[OH2:31].[OH2:36]>>[CH3:1][C:2]1([CH3:30])[CH2:3][CH2:4][S:5][c:6]2[cH:7][cH:8][c:9]([CH:12]([CH2:13][O:14][c:15]3[cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:23][cH:24]3)[CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[cH:10][c:11]21

Participants

6

Reactant 5

HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 28486Lithium ionHCID 18177937(RS)-methyl 4-[2-(4,4-dimethyl-thiochroman-6-yl)-heptyloxy]-benzoate

Product 1

HCID 10273135(RS)-4-[2-(4,4-dimethyl-thiochroman-6-yl)-heptyloxy]-benzoic acid

Sources & evidence

ORD record
ord-a9d1e816b90d465296718db853bc0688
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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