tert-Butanol → Hydrochloric Acid

HRID 1138111Notes

Reaction equation

HRID 1138111 reaction equation
[C:15](#[CH:16])[c:17]1[cH:18][c:19]([NH2:20])[cH:21][cH:22][cH:23]1.[C:24]([OH:25])([CH3:26])([CH3:27])[CH3:28].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][c:11]12>>[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]([N+:12](=[O:13])[O-:14])[cH:9][cH:10][c:11]12

Participants

5

Reactant 3

HCID 6386tert-ButanolHCID 104682Benzenamine, 3-ethynyl-HCID 8306804-Chloro-7-nitroquinazoline

Product 2

HCID 313Hydrochloric AcidHCID 16045519N-(3-ethynylphenyl)-7-nitroquinazolin-4-amine

Sources & evidence

ORD record
ord-d40793c9613d4a9ba71738b99dd4e537
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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