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Dimethylformamide → 5-Cyano-furan-2-carboxylic acid [2'fluoro-5-(4-methyl-piperazin-1-yl)-biphenyl-2-yl]-amide

HRID 297645
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HRID 297645 반응식
[C:24](#[N:25])[c:26]1[cH:27][cH:28][c:29]([C:31](=[O:32])[OH:33])[o:30]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:34][C:35]([C:36]([Cl:37])=[O:38])=[O:39].[F:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([N:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:11][cH:12][c:13]2[N+:14]([O-:15])=[O:16])[cH:4][cH:5][cH:6][cH:7]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[F:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([N:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:11][cH:12][c:13]2[NH:14][C:31]([c:29]2[cH:28][cH:27][c:26]([C:24]#[N:25])[o:30]2)=[O:32])[cH:4][cH:5][cH:6][cH:7]1
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참가 물질

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반응물 5

HCID 6228DimethylformamideHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 108555165-cyanofuran-2-carboxylic AcidHCID 591285641-(2'-Fluoro-6-nitro-biphenyl-3-yl)-4-methyl-piperazine

생성물 1

HCID 116828555-Cyano-furan-2-carboxylic acid [2'fluoro-5-(4-methyl-piperazin-1-yl)-biphenyl-2-yl]-amide

출처 및 근거

ORD 기록
ord-5e17ead6ebec42a0b96c09e67783ff06
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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