Ethanolamine → N-[6-Chloro-2-[3-[(2-hydroxyethyl)amino]-1-piperidinyl]-5-quinolinyl]-cyclohexaneacetamide

반응식

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

참가 물질

반응물 3

HCID 700Ethanolamine

HCID 6342Acetonitrile

HCID 178505203HCID 178505203, 화합물

생성물 1

HCID 59768624N-[6-Chloro-2-[3-[(2-hydroxyethyl)amino]-1-piperidinyl]-5-quinolinyl]-cyclohexaneacetamide

출처 및 근거

ORD 기록: ord-b04260e9c82c476aa9fc60d9462ececa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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