Isopropanol → Hydrochloric Acid

HRID 162901Notes

Reaction equation

HRID 162901 reaction equation
[CH:33]([OH:34])([CH3:35])[CH3:36].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8](-[c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][cH:17]3)[cH:9][cH:10][c:11]12.[F:22][C:23]([c:24]1[cH:25][cH:26][c:27]([NH2:28])[cH:29][cH:30]1)([F:31])[F:32]>>[ClH:1].[c:2]1([NH:28][c:27]2[cH:26][cH:25][c:24]([C:23]([F:22])([F:31])[F:32])[cH:30][cH:29]2)[n:3][cH:4][n:5][c:6]2[cH:7][c:8](-[c:12]3[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][cH:17]3)[cH:9][cH:10][c:11]12

Participants

5

Reactant 3

HCID 3776IsopropanolHCID 99644-(Trifluoromethyl)anilineHCID 22030371HCID 22030371, compound

Product 2

HCID 313Hydrochloric AcidHCID 22030121HCID 22030121, compound

Sources & evidence

ORD record
ord-92f345f90212448f986cfd5bc54ea8fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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