Acetic Acid → N2-{4-[4-amino-1-(4-pyridyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}-1-methyl-1H-2-indolecarboxamide

반응식

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

참가 물질

반응물 2

HCID 176Acetic Acid

HCID 692045684-[4-amino-3-(3-methoxy-4-[(1-methyl-1H-2-indolyl)-carbonyl]aminophenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyridiniumolate

생성물 1

HCID 22346897N2-{4-[4-amino-1-(4-pyridyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}-1-methyl-1H-2-indolecarboxamide

출처 및 근거

ORD 기록: ord-e82ca6818c124137bf5a5db8a38c8369
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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