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Benzene → N-(4-chlorophenyl)-6-methyl-2,3-dihydro-1,4-dithiine-5-carboxamide

HRID 96084
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인쇄 미리보기

반응식

HRID 96084 반응식
[CH2:16]([CH2:17][SH:18])[SH:19].[Cl:1][CH:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]1)[C:13]([CH3:14])=[O:15].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[C:2]1([C:3](=[O:4])[NH:5][c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]2)=[C:13]([CH3:14])[S:19][CH2:16][CH2:17][S:18]1
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참가 물질

5

반응물 4

HCID 241BenzeneHCID 6101p-Toluenesulfonic acidHCID 109021,2-EthanedithiolHCID 27785032-chloro-N-(4-chlorophenyl)-3-oxobutanamide

생성물 1

HCID 470321N-(4-chlorophenyl)-6-methyl-2,3-dihydro-1,4-dithiine-5-carboxamide

출처 및 근거

ORD 기록
ord-ac397191246e498f8cccf49bf82e939b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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