Dichloromethane → [4-Amino-2-(piperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone

반응식

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]([C:22]([c:23]3[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]3)=[O:31])[c:19]([NH2:21])[n:20]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:39][CH2:40][Cl:41].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38]>>[NH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]([C:22]([c:23]3[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]3)=[O:31])[c:19]([NH2:21])[n:20]2)[CH2:12][CH2:13]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 119752004-[4-Amino-5-(2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

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

출처 및 근거

ORD 기록: ord-b88bf41db4d14716ba5fb099cc557228
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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