1-Butanol → 2-[4-[[2-Amino-4-(1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl]methyl]-3-fluorophenyl]acetonitrile

HRID 1114679

Reaction equation

HRID 1114679 reaction equation
[CH3:29][CH2:30][CH2:31][CH2:32][OH:33].[NH2:1][CH:2]([CH2:3][CH2:4][OH:5])[CH2:6][CH2:7][CH3:8].[NH2:9][c:10]1[n:11][c:12]([CH3:28])[c:13]([CH2:17][c:18]2[c:19]([F:27])[cH:20][c:21]([CH2:24][C:25]#[N:26])[cH:22][cH:23]2)[c:14]([Cl:16])[n:15]1>>[NH:1]([CH:2]([CH2:3][CH2:4][OH:5])[CH2:6][CH2:7][CH3:8])[c:14]1[c:13]([CH2:17][c:18]2[c:19]([F:27])[cH:20][c:21]([CH2:24][C:25]#[N:26])[cH:22][cH:23]2)[c:12]([CH3:28])[n:11][c:10]([NH2:9])[n:15]1

Participants

4

Reactant 3

HCID 2631-ButanolHCID 218837803-Aminohexan-1-olHCID 866334052-(4-((2-Amino-4-chloro-6-methylpyrimidin-5-yl)methyl)-3-fluorophenyl)acetonitrile

Product 1

HCID 689578802-[4-[[2-Amino-4-(1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl]methyl]-3-fluorophenyl]acetonitrile

Sources & evidence

ORD record
ord-7f1171a293a449f1bdce855786f78edb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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