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

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid3회

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

HCID 668414344-(cyclopropylmethoxy)-1H-indole-2-carboxylic acid

생성물 1

HCID 112591964-Cyclopropylmethoxy-1H-indole-2-carboxylic acid [1-(2-azepan-1-yl-ethyl)-piperidin-4-yl]-amide

출처 및 근거

ORD 기록: ord-a0c5e9f2af294b079fde4ad9ccac3f67
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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