Acetone → [5-(4-Methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-pyrazin-2-yl-amine

반응식

[CH3:1][c:2]1[n:3][c:4]([NH:15][c:16]2[n:17][cH:18][cH:19][n:20][cH:21]2)[s:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([S:13][CH3:14])[cH:11][cH:12]1.[CH3:23][C:24](=[O:25])[CH3:26].[OH2:22]>>[CH3:1][c:2]1[n:3][c:4]([NH:15][c:16]2[n:17][cH:18][cH:19][n:20][cH:21]2)[s:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([S:13]([CH3:14])(=[O:22])=[O:25])[cH:11][cH:12]1

참가 물질

반응물 3

HCID 180Acetone

HCID 962Water

HCID 86761401[4-Methyl-5-(4-methylsulfanyl-phenyl)-thiazol-2-yl]-pyrazin-2-yl-amine

생성물 1

HCID 85996781[5-(4-Methanesulfonyl-phenyl)-4-methyl-thiazol-2-yl]-pyrazin-2-yl-amine

출처 및 근거

ORD 기록: ord-fd2eab1c809c452fadb26e4541d19ea4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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