3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (4,4-diethoxy-butyl)-amide → 3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (4-oxo-butyl)-amide

반응식

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

참가 물질

반응물 2

HCID 669374713,4-Dihydro-1H-isoquinoline-2-carboxylic acid (4,4-diethoxy-butyl)-amide

HCID 85725969Cyclohexanecarboxylic acid (4-oxo-butyl)-amide

생성물 1

HCID 866513033,4-Dihydro-1H-isoquinoline-2-carboxylic acid (4-oxo-butyl)-amide

출처 및 근거

ORD 기록: ord-ea469c1e59e24e52966faea7cd7d3f42
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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