Ethanol → Methanesulfonate

HRID 178490

반응식

HRID 178490 반응식
[CH3:16][O:17][S:18]([CH3:19])(=[O:20])=[O:21].[CH3:22][CH2:23][OH:24].[c:1]1([NH:7][c:8]2[n:9][c:10]([NH2:15])[n:11][c:12]([CH3:14])[cH:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[O:17]=[S:18]([CH3:19])(=[O:20])[O-:21].[c:1]1([NH:7][c:8]2[n:9][c:10]([NH2:15])[n+:11]([CH3:16])[c:12]([CH3:14])[cH:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

5

반응물 3

HCID 702EthanolHCID 4156Methyl MethanesulfonateHCID 6082032-Amino-4-phenylamino-6-methylpyrimidine

생성물 2

HCID 85257MethanesulfonateHCID 120932611,6-dimethyl-4-N-phenylpyrimidin-1-ium-2,4-diamine

출처 및 근거

ORD 기록
ord-b513cd6d18aa422a9fac4cee5ad87aa0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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