Hydrochloric Acid → 2,2,5,7-Tetramethylchroman-6-thiol

Reaction equation

[Al+3:2].[CH3:7][C:8]1([CH3:23])[O:9][c:10]2[cH:11][c:12]([CH3:22])[c:13]([S:19][C:20]#[N:21])[c:14]([CH3:18])[c:15]2[CH2:16][CH2:17]1.[ClH:24].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[OH2:25]>>[CH3:7][C:8]1([CH3:23])[O:9][c:10]2[cH:11][c:12]([CH3:22])[c:13]([SH:19])[c:14]([CH3:18])[c:15]2[CH2:16][CH2:17]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 962Water

HCID 28486Lithium ion

HCID 104727Aluminum Cation

HCID 166653Hydride4×

HCID 197807302,2,5,7-Tetramethyl-6-thiocyanatochroman

Product 1

HCID 197806892,2,5,7-Tetramethylchroman-6-thiol

Sources & evidence

ORD record: ord-cfc8eebb5714419ea1e89c695ec58d17
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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