Trifluoroacetic acid → N-[5-(4-amino-2-fluorophenoxy)[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

반응식

[CH3:32][O:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[s:8][c:9]3[n:10][c:11]([O:16][c:17]4[c:18]([F:31])[cH:19][c:20]([NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:21][cH:22]4)[cH:12][cH:13][c:14]3[n:15]2)[CH2:2][CH2:3]1.[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[CH:1]1([C:4](=[O:5])[NH:6][c:7]2[s:8][c:9]3[n:10][c:11]([O:16][c:17]4[c:18]([F:31])[cH:19][c:20]([NH2:23])[cH:21][cH:22]4)[cH:12][cH:13][c:14]3[n:15]2)[CH2:2][CH2:3]1

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 7519Anisole

HCID 58158551Tert-butyl [4-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-3-fluorophenyl]carbamate

생성물 1

HCID 58158529N-[5-(4-amino-2-fluorophenoxy)[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide

출처 및 근거

ORD 기록: ord-c2832763a17c49348844dc279c6ba55d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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