Isopropanol → Hydrochloric Acid

HRID 174155Notes

Reaction equation

HRID 174155 reaction equation
[C:15](#[CH:16])[c:17]1[cH:18][c:19]([NH2:20])[cH:21][cH:22][cH:23]1.[CH:24]([OH:25])([CH3:26])[CH3:27].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]12)[O:12][CH2:13][O:14]3>>[ClH:1].[c:2]1([NH:20][c:19]2[cH:18][c:17]([C:15]#[CH:16])[cH:23][cH:22][cH:21]2)[n:3][cH:4][n:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]12)[O:12][CH2:13][O:14]3

Participants

5

Reactant 3

HCID 3776IsopropanolHCID 104682Benzenamine, 3-ethynyl-HCID 149353678-Chloro-2H-[1,3]dioxolo[4,5-g]quinazoline

Product 2

HCID 313Hydrochloric AcidHCID 15549234N-(3-Ethynylphenyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8-amine

Sources & evidence

ORD record
ord-028988a4980e474bb29fb2b645f5d07f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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