1-Butanol → 6-(3-Fluorophenyl)-N-(1-{9-[1-(hydroxymethyl)propyl]-9H-purin-6-yl}piperidin-4-yl)nicotinamide

HRID 313343

Reaction equation

HRID 313343 reaction equation
[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:23][c:24]1[c:25]2[n:26][cH:27][n:28]([CH:33]([CH2:34][OH:35])[CH2:36][CH3:37])[c:29]2[n:30][cH:31][n:32]1.[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH:15]3[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[cH:21][cH:22]2)[cH:5][cH:6][cH:7]1.[OH2:43]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH:15]3[CH2:16][CH2:17][N:18]([c:24]4[c:25]5[n:26][cH:27][n:28]([CH:33]([CH2:34][OH:35])[CH2:36][CH3:37])[c:29]5[n:30][cH:31][n:32]4)[CH2:19][CH2:20]3)[cH:21][cH:22]2)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 962WaterHCID 8471TriethylamineHCID 542456872-(6-chloro-9H-purin-9-yl)butan-1-olHCID 672679066-(3-fluorophenyl)-N-(piperidin-4-yl)nicotinamide

Product 1

HCID 249910426-(3-Fluorophenyl)-N-(1-{9-[1-(hydroxymethyl)propyl]-9H-purin-6-yl}piperidin-4-yl)nicotinamide

Sources & evidence

ORD record
ord-64ad7bad2b444baea317ea8e91ee129e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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