Trifluoroacetic acid → 4-[4-Amino-5-(2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid propyl ester

반응식

[CH2:32]([CH2:33][CH3:34])[O:35][C:36](=[O:37])[Cl:38].[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]([C:36]([O:35][CH2:32][CH2:33][CH3:34])=[O:37])[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 7998Propyl chloroformate

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

생성물 1

HCID 104094914-[4-Amino-5-(2-methoxy-benzoyl)-pyrimidin-2-ylamino]-piperidine-1-carboxylic acid propyl ester

출처 및 근거

ORD 기록: ord-d53c8a7b7a6645ceb5414fa18b08ea6d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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