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Dimethylformamide → 1-[2-[4-(4-Chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile

HRID 1204490
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HRID 1204490 반응식
[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cl:1][c:2]1[cH:3][c:4]([F:30])[c:5]([N:10]2[CH2:11][CH:12]([CH3:29])[N:13]([C:16]([CH2:17][n:18]3[n:19][c:20]([I:27])[c:21]4[c:22]3[n:23][cH:24][cH:25][cH:26]4)=[O:28])[CH2:14][CH2:15]2)[cH:6][c:7]1[O:8][CH3:9].[Cu:31][C:32]#[N:33].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[Cl:1][c:2]1[cH:3][c:4]([F:30])[c:5]([N:10]2[CH2:11][CH:12]([CH3:29])[N:13]([C:16]([CH2:17][n:18]3[n:19][c:20]([C:32]#[N:33])[c:21]4[c:22]3[n:23][cH:24][cH:25][cH:26]4)=[O:28])[CH2:14][CH2:15]2)[cH:6][c:7]1[O:8][CH3:9]
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참가 물질

5

반응물 4

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 160063231-[4-(4-Chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanoneHCID 178418546HCID 178418546, 화합물

생성물 1

HCID 671036431-[2-[4-(4-Chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile

출처 및 근거

ORD 기록
ord-93fdbb2aa1064ce297c3deb84089a8ce
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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