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Isopropanol → Quinoline-6-carboxylic acid 2-hydroxy-3-{3-[4-phenyl-1-(3-phenyl-propyl)-butylcarbamoyl]-piperidin-1-yl}-propyl ester

HRID 698735
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HRID 698735 반응식
[CH:46]([OH:47])([CH3:48])[CH3:49].[O:29]1[CH:30]([CH2:32][O:33][C:34](=[O:35])[c:36]2[cH:37][c:38]3[cH:39][cH:40][cH:41][n:42][c:43]3[cH:44][cH:45]2)[CH2:31]1.[c:1]1([CH2:7][CH2:8][CH2:9][CH:10]([CH2:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][C:21](=[O:22])[CH:23]2[CH2:24][NH:25][CH2:26][CH2:27][CH2:28]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH:10]([CH2:11][CH2:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][C:21](=[O:22])[CH:23]2[CH2:24][N:25]([CH2:31][CH:30]([OH:29])[CH2:32][O:33][C:34](=[O:35])[c:36]3[cH:37][c:38]4[cH:39][cH:40][cH:41][n:42][c:43]4[cH:44][cH:45]3)[CH2:26][CH2:27][CH2:28]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 3776IsopropanolHCID 12020263Piperidine-3-carboxylic acid [4-phenyl-1-(3-phenyl-propyl)-butyl]-amideHCID 12020264Quinoline-6-carboxylic acid oxiranylmethyl ester

생성물 1

HCID 18727469Quinoline-6-carboxylic acid 2-hydroxy-3-{3-[4-phenyl-1-(3-phenyl-propyl)-butylcarbamoyl]-piperidin-1-yl}-propyl ester

출처 및 근거

ORD 기록
ord-4e43f230d712481696f2a283ddb54a80
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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