Ethanol → 4-(1-(4-methoxybenzyl)-3-iodo-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-2-chloro-5-fluorobenzenamine

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 8857Ethyl Acetate

HCID 685164081-(4-methoxybenzyl)-4-(5-chloro-2-fluoro-4-nitrophenoxy)-3-iodo-1H-pyrazolo[3,4-b]pyridine

생성물 1

HCID 685133884-(1-(4-methoxybenzyl)-3-iodo-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-2-chloro-5-fluorobenzenamine

출처 및 근거

ORD 기록: ord-ba99786f4c444e519a620c8e0180a3e5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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