Ethanol → 1-[5-Chloro-2-(1-hydroxymethyl-propylamino)-pyrimidin-4-yl]-piperidine-4-carboxylic acid [1-(3-chloro-phenyl)-2-hydroxy-ethyl]-amide

HRID 2147090Notes

Reaction equation

HRID 2147090 reaction equation
[CH3:34][CH2:35][OH:36].[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][CH2:16][N:17]([c:20]3[n:21][c:22]([Cl:27])[n:23][cH:24][c:25]3[Cl:26])[CH2:18][CH2:19]2)[cH:5][cH:6][cH:7]1.[NH2:28][CH:29]([CH2:30][OH:31])[CH2:32][CH3:33]>>[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][CH2:16][N:17]([c:20]3[n:21][c:22]([NH:28][CH:29]([CH2:30][OH:31])[CH2:32][CH3:33])[n:23][cH:24][c:25]3[Cl:26])[CH2:18][CH2:19]2)[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 702EthanolHCID 221292-Amino-1-butanolHCID 866013611-(2,5-Dichloro-pyrimidin-4-yl)-piperidine-4-carboxylic acid [1-(3-chloro-phenyl)-2-hydroxy-ethyl]-amide

Product 1

HCID 866013631-[5-Chloro-2-(1-hydroxymethyl-propylamino)-pyrimidin-4-yl]-piperidine-4-carboxylic acid [1-(3-chloro-phenyl)-2-hydroxy-ethyl]-amide

Sources & evidence

ORD record
ord-7e94e3a577b24b8cbea3f5a56e0c63c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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