Ethanol → Hydrochloric Acid

HRID 120932Notes

Reaction equation

HRID 120932 reaction equation
[CH2:19]([CH3:20])[O:21][C:22]([c:23]1[cH:24][cH:25][c:26]([CH2:29][Cl:30])[cH:27][cH:28]1)=[O:31].[CH3:32][CH2:33][OH:34].[c:1]1([CH:7]2[NH:8][C:9](=[S:18])[NH:10][CH:11]2[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:30].[c:1]1([CH:7]2[NH:8][C:9]([S:18][CH2:29][c:26]3[cH:25][cH:24][c:23]([C:22]([O:21][CH2:19][CH3:20])=[O:31])[cH:28][cH:27]3)=[N:10][CH:11]2[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 3

HCID 702EthanolHCID 276519Ethyl 4-(Chloromethyl)benzoateHCID 122814674,5-Diphenylimidazoline-2-thione

Product 2

HCID 313Hydrochloric AcidHCID 68565806ethyl 4-[(4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]benzoate

Sources & evidence

ORD record
ord-452f9fcdb30d44ef828d8d7ab188cc71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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