Hydrochloric Acid → 4-p-Tolyloxy-1H-indole-2-carboxylic acid [1-(2-azepan-1-yl-ethyl)-piperidin-4-yl]-amide

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid3회

HCID 596001661-(2-(Azepan-1-yl)ethyl)piperidin-4-amine

HCID 668413474-p-tolyloxy-1H-indole-2-carboxylic acid

생성물 1

HCID 596002614-p-Tolyloxy-1H-indole-2-carboxylic acid [1-(2-azepan-1-yl-ethyl)-piperidin-4-yl]-amide

출처 및 근거

ORD 기록: ord-37bea75762914444b7bdcf80a9b9fa79
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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