1-Butanol → 2-{4-[(3,4-Dimethoxy-phenyl)-methyl-amino]-quinazolin-2-ylamino}-ethanol

Reaction equation

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

Participants

Reactant 4

HCID 2631-Butanol

HCID 313Hydrochloric Acid

HCID 700Ethanolamine

HCID 11771849(2-Chloro-quinazolin-4-yl)-(3,4-dimethoxy-phenyl)-methyl-amine

Product 1

HCID 592421192-{4-[(3,4-Dimethoxy-phenyl)-methyl-amino]-quinazolin-2-ylamino}-ethanol

Sources & evidence

ORD record: ord-70bbfabf8c744ce088daa2c22acf7a81
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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