1-Benzyl-4-piperidone → (1-Benzyl-4-isoquinolin-1-ylpiperidin-4-yl) benzoate

반응식

[C:25]([CH:26]1[c:27]2[c:28]([cH:29][cH:30][cH:31][cH:32]2)[CH:33]=[CH:34][N:35]1[C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)=[O:44])#[N:36].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([c:15]2[n:16][cH:17][cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[CH2:12][CH2:13]1.[CH2:45]([N:46]1[CH2:47][CH2:48][C:49](=[O:50])[CH2:51][CH2:52]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([O:14][C:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:44])([c:15]2[n:16][cH:17][cH:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[CH2:12][CH2:13]1

참가 물질

반응물 3

HCID 192201-Benzyl-4-piperidone

HCID 2304882-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile

HCID 134662361-Benzyl-4-(1-isoquinolyl)-piperidin-4-ol

생성물 1

HCID 319768(1-Benzyl-4-isoquinolin-1-ylpiperidin-4-yl) benzoate

출처 및 근거

ORD 기록: ord-a2ba10afd2b144d3990608569812ff4c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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