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Pyridine → 7-chloro-4-(4-chlorophenyl)-2-[(2-methyl-1-oxohexyloxy)methyl]-5H-pyrido[3,4-b][1,4]benzothiazin-3(2H)-one

HRID 185056
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인쇄 미리보기

반응식

HRID 185056 반응식
[CH3:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][CH2:7][CH2:8][CH3:9].[Cl:14][c:15]1[cH:16][cH:17][c:18]2[c:19]([cH:38]1)[NH:20][c:21]1[c:22]([cH:24][n:25]([CH2:36][OH:37])[c:26](=[O:35])[c:27]1-[c:28]1[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]1)[S:23]2.[S:10]([Cl:11])([Cl:12])=[O:13].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[CH3:1][CH:2]([C:3]([O:4][CH2:36][n:25]1[cH:24][c:22]2[c:21]([c:27](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[c:26]1=[O:35])[NH:20][c:19]1[c:18]([cH:17][cH:16][c:15]([Cl:14])[cH:38]1)[S:23]2)=[O:5])[CH2:6][CH2:7][CH2:8][CH3:9]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1049PyridineHCID 206532-Methylhexanoic AcidHCID 24386Thionyl ChlorideHCID 204269037-chloro-4-(4-chlorophenyl)-2-(hydroxymethyl)-5H-pyrido[3,4-b][1,4]benzothiazin-3(2H)-one

생성물 1

HCID 204268967-chloro-4-(4-chlorophenyl)-2-[(2-methyl-1-oxohexyloxy)methyl]-5H-pyrido[3,4-b][1,4]benzothiazin-3(2H)-one

출처 및 근거

ORD 기록
ord-e44670013b8b4b8eb48c9f307f97cd1c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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