Hydrochloric Acid → Agn-194310

HRID 678576Notes

Reaction equation

HRID 678576 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([C:9]2=[CH:10][C:11]([CH3:32])([CH3:33])[S:12][c:13]3[cH:14][cH:15][c:16]([C:19]#[C:20][c:21]4[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31]4)[cH:17][c:18]32)[cH:7][cH:8]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][OH:44].[ClH:36].[Na+:35].[OH-:34]>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([C:9]2=[CH:10][C:11]([CH3:32])([CH3:33])[S:12][c:13]3[cH:14][cH:15][c:16]([C:19]#[C:20][c:21]4[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:30][cH:31]4)[cH:17][c:18]32)[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 21957874Ethyl 4-[[4-(4-ethylphenyl)-2,2-dimethyl-(2h)-thiochromen-6-yl]ethynyl]-benzoate

Product 1

HCID 9867046Agn-194310

Sources & evidence

ORD record
ord-8473169a25a247b5800c7515f964b2ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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