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Ethanol → 2-(4-Cyclopropylpiperazin-1-yl)-6-(1,1-dioxo-1lambda6-isothiazolidin-2-ylmethyl)benzothiazole

HRID 2127461
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인쇄 미리보기

반응식

HRID 2127461 반응식
[CH3:30][CH2:31][OH:32].[CH:1]1([N:4]2[CH2:5][CH2:6][N:7]([c:10]3[s:11][c:12]4[c:13]([n:14]3)[cH:15][cH:16][c:17]([CH2:19][NH:20][S:21](=[O:22])(=[O:23])[CH2:24][CH2:25][CH2:26][Cl:27])[cH:18]4)[CH2:8][CH2:9]2)[CH2:2][CH2:3]1.[K+:29].[OH-:28]>>[CH:1]1([N:4]2[CH2:5][CH2:6][N:7]([c:10]3[s:11][c:12]4[c:13]([n:14]3)[cH:15][cH:16][c:17]([CH2:19][N:20]3[S:21](=[O:22])(=[O:23])[CH2:24][CH2:25][CH2:26]3)[cH:18]4)[CH2:8][CH2:9]2)[CH2:2][CH2:3]1
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참가 물질

5

반응물 4

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 595887913-Chloropropane-1-sulfonic acid [2-(4-cyclopropylpiperazin-1-yl)benzothiazol-6-ylmethyl]amide

생성물 1

HCID 595887992-(4-Cyclopropylpiperazin-1-yl)-6-(1,1-dioxo-1lambda6-isothiazolidin-2-ylmethyl)benzothiazole

출처 및 근거

ORD 기록
ord-e44489b83f544325b11d70e3cbf4973a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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