Acetone → Propan-2-yl 7-[2-(3-hydroxy-4-phenylbut-1-enyl)-6-oxopiperidin-1-yl]heptanoate

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 130172131-Isopropyl-3-p-tolyltriazene

HCID 690211827-[2-(3-Hydroxy-4-phenylbut-1-enyl)-6-oxopiperidin-1-yl]heptanoic acid

생성물 1

HCID 69020918Propan-2-yl 7-[2-(3-hydroxy-4-phenylbut-1-enyl)-6-oxopiperidin-1-yl]heptanoate

출처 및 근거

ORD 기록: ord-b43289fabe90429e8dead3b174f9f7bd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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