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

반응식

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

참가 물질

반응물 3

HCID 24813Phosphorus oxychloride

HCID 24819Phosphorus pentachloride

HCID 1361201982-heptylthio-7-hydroxy-6-methyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one

생성물 1

HCID 156107877-chloro-2-heptylthio-6-methyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one

출처 및 근거

ORD 기록: ord-59652ac7ae2d420eb1c14ac66caefee7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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