Isopropanol → Hydrochloric Acid

HRID 198407Notes

Reaction equation

HRID 198407 reaction equation
[Br:22][c:23]1[cH:24][c:25]([F:30])[c:26]([NH2:27])[cH:28][cH:29]1.[CH:31]([OH:32])([CH3:33])[CH3:34].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][n:17]3[n:18][cH:19][n:20][cH:21]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12>>[ClH:1].[c:2]1([NH:27][c:26]2[c:25]([F:30])[cH:24][c:23]([Br:22])[cH:29][cH:28]2)[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][n:17]3[n:18][cH:19][n:20][cH:21]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12

Participants

5

Reactant 3

HCID 3776IsopropanolHCID 1230504-Bromo-2-fluoroanilineHCID 226248964-Chloro-6-methoxy-7-(2-(1,2,4-triazol-1-yl)ethoxy)quinazoline

Product 2

HCID 313Hydrochloric AcidHCID 10961525N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(1,2,4-triazol-1-yl)ethoxy]quinazolin-4-amine

Sources & evidence

ORD record
ord-1d32d1a2f1e04468a85ad2206f134666
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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