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Chloride → 2-[(4-methylpyridin-2-yl)methyl]thio-6-methyl-4(3H)-pyrimidinone

HRID 305332
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반응식

HRID 305332 반응식
[CH2:39]([N+:40]([CH2:41][CH3:42])([CH2:43][CH3:44])[CH2:45][CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:17][S:18](=[O:19])(=[O:20])[Cl:21].[CH3:22][c:23]1[cH:24][c:25](=[O:30])[nH:26][c:27](=[S:29])[nH:28]1.[CH:31]([O:32][CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[CH:55]([Cl:56])([Cl:57])[Cl:58].[Cl-:38].[Na+:54].[OH-:53].[OH:1][CH2:2][c:3]1[n:4][cH:5][cH:6][c:7]([CH3:9])[cH:8]1>>[CH2:2]([c:3]1[n:4][cH:5][cH:6][c:7]([CH3:9])[cH:8]1)[S:29][c:27]1[nH:26][c:25](=[O:30])[cH:24][c:23]([CH3:22])[n:28]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 312ChlorideHCID 923Sodium IonHCID 961HydroxideHCID 6212ChloroformHCID 7914Diisopropyl EtherHCID 8471TriethylamineHCID 17208BenzyltriethylammoniumHCID 31297Methanesulfonyl chloride
HCID 667493Methylthiouracil
HCID 12325388(4-Methylpyridin-2-yl)methanol

생성물 1

HCID 1355591832-[(4-methylpyridin-2-yl)methyl]thio-6-methyl-4(3H)-pyrimidinone

출처 및 근거

ORD 기록
ord-b1453514e06f4149b6ffb6557386ad09
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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