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Hydrochloric Acid → 4-[2-(4,4-Dimethyl-7-octyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid

HRID 97610
Notes
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Reaction equation

HRID 97610 reaction equation
[CH3:1][C:2]1([CH3:36])[CH2:3][CH2:4][S:5](=[O:34])(=[O:35])[c:6]2[c:7]1[cH:8][c:9]([C:20](=[CH:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:31][cH:32]1)[CH3:33])[c:10]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:11]2.[CH3:40][CH2:41][OH:42].[ClH:39].[K+:38].[OH-:37].[OH2:43]>>[CH3:1][C:2]1([CH3:36])[CH2:3][CH2:4][S:5](=[O:34])(=[O:35])[c:6]2[c:7]1[cH:8][c:9]([C:20](=[CH:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:31][cH:32]1)[CH3:33])[c:10]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:11]2
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 53985465Ethyl 4-[2-(4,4-dimethyl-7-octyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoate

Product 1

HCID 54138545
4-[2-(4,4-Dimethyl-7-octyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid

Sources & evidence

ORD record
ord-bbc3fe43d226472fb13c69965c05500b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes