Trifluoroacetic acid → [4-Amino-2-(1-ethanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone

반응식

[CH2:32]([CH3:33])[S:34](=[O:35])(=[O:36])[Cl:37].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][c:9]1[n:10][c:11]([NH:25][CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:12][cH:13][c:14]1[C:15](=[O:16])[c:17]1[c:18]([O:23][CH3:24])[cH:19][cH:20][cH:21][cH:22]1>>[NH2:8][c:9]1[n:10][c:11]([NH:25][CH:26]2[CH2:27][CH2:28][N:29]([S:34]([CH2:32][CH3:33])(=[O:35])=[O:36])[CH2:30][CH2:31]2)[n:12][cH:13][c:14]1[C:15](=[O:16])[c:17]1[c:18]([O:23][CH3:24])[cH:19][cH:20][cH:21][cH:22]1

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 11667Ethanesulfonyl chloride

HCID 10449125[4-Amino-2-(piperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone

생성물 1

HCID 10251513[4-Amino-2-(1-ethanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone

출처 및 근거

ORD 기록: ord-ceea161bf1284f0c83bc8a220a50acce
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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