Benzoic Acid → N-[4-methyl-3-[2-(1-methyl-1h-pyrazolo[3,4-c]pyridin-4-yl)ethynyl]phenyl]benzamide

반응식

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

참가 물질

반응물 3

HCID 243Benzoic Acid

HCID 8857Ethyl Acetate

HCID 595364374-Methyl-3-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-ylethynyl)-phenylamine

생성물 1

HCID 59536443N-[4-methyl-3-[2-(1-methyl-1h-pyrazolo[3,4-c]pyridin-4-yl)ethynyl]phenyl]benzamide

출처 및 근거

ORD 기록: ord-2901f9077e1e422ca523b941ca223cec
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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