1-Butanol → 1-[5-chloro-2-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]azetidine-3-carboxamide

HRID 107906Notes

Reaction equation

HRID 107906 reaction equation
[CH2:31]([OH:32])[CH2:33][CH2:34][CH3:35].[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][OH:10])[NH:11][C:12](=[O:13])[CH:14]2[CH2:15][N:16]([c:18]3[n:19][c:20]([Cl:25])[n:21][cH:22][c:23]3[Cl:24])[CH2:17]2)[cH:5][cH:6][cH:7]1.[NH2:26][CH:27]([CH2:28][OH:29])[CH3:30]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][OH:10])[NH:11][C:12](=[O:13])[CH:14]2[CH2:15][N:16]([c:18]3[n:19][c:20]([NH:26][CH:27]([CH2:28][OH:29])[CH3:30])[n:21][cH:22][c:23]3[Cl:24])[CH2:17]2)[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 2631-ButanolHCID 51262-AminopropanolHCID 908943571-(2,5-Dichloropyrimidin-4-yl)-azetidine-3-carboxylic acid [1-(3-chlorophenyl)-2-hydroxyethyl]-amide

Product 1

HCID 112360111-[5-chloro-2-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]azetidine-3-carboxamide

Sources & evidence

ORD record
ord-6d4ee4ecb0524e53a4a0662533f88f08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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