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Hydrochloric Acid → Benzeneacetamide, alpha-(cyclopentylmethyl)-N-(5-methoxythiazolo[5,4-b]pyridin-2-yl)-4-[(4-methyl-1-piperazinyl)sulfonyl]-, (alphaR)-

HRID 174491
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HRID 174491 반응식
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH3:50][O:51][c:52]1[cH:53][cH:54][c:55]2[c:56]([n:57]1)[s:58][c:59]([NH2:61])[n:60]2.[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]3)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:62][CH2:63][Cl:64].[ClH:49].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:37].[OH2:70].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:61][c:59]2[s:58][c:56]3[c:55]([cH:54][cH:53][c:52]([O:51][CH3:50])[n:57]3)[n:60]2)[c:11]2[cH:12][cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]3)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962Water2회HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 28015575-Methoxy[1,3]thiazolo[5,4-b]pyridin-2-amine
HCID 44475401
3-Cyclopentyl-2-[4-(4-methyl-piperazine-1-sulfonyl)phenyl]propionic acid

생성물 1

HCID 11432720Benzeneacetamide, alpha-(cyclopentylmethyl)-N-(5-methoxythiazolo[5,4-b]pyridin-2-yl)-4-[(4-methyl-1-piperazinyl)sulfonyl]-, (alphaR)-

출처 및 근거

ORD 기록
ord-7bcce6a29f6642aa96ed6dfe4384bf31
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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