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

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid3회

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

HCID 668416024-Isopropoxy-1H-indole-2-carboxylic acid

생성물 1

HCID 111545454-Isopropoxy-1H-indole-2-carboxylic acid [1-(2-azepan-1-yl-ethyl)-piperidin-4-yl]-amide

출처 및 근거

ORD 기록: ord-4e34c640346b478493a1f4096c26f4e5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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