1-Butanol → 4-Anilino-5-bromo-2-(4-hydroxyanilino)pyrimidine

Reaction equation

[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[ClH:9].[NH2:1][c:2]1[cH:3][cH:4][c:5]([OH:6])[cH:7][cH:8]1.[NH:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[c:17]1[n:18][c:19]([NH:24][c:25]2[cH:26][cH:27][c:28]([N:29]3[CH2:30][CH2:31][N:32]([CH3:33])[CH2:34][CH2:35]3)[cH:36][cH:37]2)[n:20][cH:21][c:22]1[Br:23]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([OH:6])[cH:7][cH:8]1)[c:19]1[n:18][c:17]([NH:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:22]([Br:23])[cH:21][n:20]1

Participants

Reactant 4

HCID 2631-Butanol

HCID 313Hydrochloric Acid

HCID 4034-Aminophenol

HCID 220481195-bromo-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-phenylpyrimidine-2,4-diamine

Product 1

HCID 220481234-Anilino-5-bromo-2-(4-hydroxyanilino)pyrimidine

Sources & evidence

ORD record: ord-f31fe49aa16f42a383141becd8551d09
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…