Phosphorus oxychloride → 2-benzylthio-7-chloro-6-methyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][c:9]1[n:10][n:11]2[c:12]([n:13][c:14]([OH:19])[c:15]([CH3:18])[c:16]2=[O:17])[s:20]1.[Cl:21][P:22]([Cl:23])([Cl:24])([Cl:25])[Cl:26].[P:27]([Cl:28])([Cl:29])([Cl:30])=[O:31]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][c:9]1[n:10][n:11]2[c:12]([n:13][c:14]([Cl:21])[c:15]([CH3:18])[c:16]2=[O:17])[s:20]1

참가 물질

반응물 3

HCID 24813Phosphorus oxychloride

HCID 24819Phosphorus pentachloride

HCID 1360876612-benzylthio-7-hydroxy-6-methyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one

생성물 1

HCID 142544222-benzylthio-7-chloro-6-methyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one

출처 및 근거

ORD 기록: ord-19fc14b7e89a4033a2b119b8a6a2e2a6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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