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Hydrochloric Acid → 3-[4-(2-Chloro-phenoxy)-piperidin-1-yl]-3-oxo-propionic acid ethyl ester

HRID 671321
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인쇄 미리보기

반응식

HRID 671321 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][C:6](=[O:7])[OH:8])=[O:9].[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH:10]([N:11]([CH2:12][CH3:13])[CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Cl:42][c:43]1[c:44]([O:45][CH:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[cH:52][cH:53][cH:54][cH:55]1.[ClH:40].[ClH:41].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:61].[OH:19][n:20]1[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[n:27][n:28]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][C:6](=[O:8])[N:49]1[CH2:48][CH2:47][CH:46]([O:45][c:44]2[c:43]([Cl:42])[cH:55][cH:54][cH:53][cH:52]2)[CH2:51][CH2:50]1)=[O:9]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 70615Monoethyl malonateHCID 757711-HydroxybenzotriazoleHCID 81531Diisopropylethylamine
HCID 3864656
4-(2-Chlorophenoxy)piperidine

생성물 1

HCID 665920173-[4-(2-Chloro-phenoxy)-piperidin-1-yl]-3-oxo-propionic acid ethyl ester

출처 및 근거

ORD 기록
ord-1f532333634f41fcb5fc54827aaf5132
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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