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Dimethylformamide → 3-{4-Fluoro-3-[(5-phenyl-furan-2-carbonyl)-amino]-phenyl}-acrylic acid methyl ester

HRID 687188
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HRID 687188 반응식
[B-:38]([F:39])([F:40])([F:41])[F:42].[CH3:15][O:16][C:17]([CH:18]=[CH:19][c:20]1[cH:21][c:22]([NH2:27])[c:23]([F:26])[cH:24][cH:25]1)=[O:28].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[c:1]1(-[c:7]2[cH:8][cH:9][c:10]([C:12](=[O:13])[OH:14])[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[c:1]1(-[c:7]2[cH:8][cH:9][c:10]([C:12](=[O:14])[NH:27][c:22]3[cH:21][c:20]([CH:19]=[CH:18][C:17]([O:16][CH3:15])=[O:28])[cH:25][cH:24][c:23]3[F:26])[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 6

HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 7362555-Phenylfuran-2-carboxylic acidHCID 684148563-(3-Amino-4-fluoro-phenyl)-acrylic acid methyl ester

생성물 1

HCID 68412236
3-{4-Fluoro-3-[(5-phenyl-furan-2-carbonyl)-amino]-phenyl}-acrylic acid methyl ester

출처 및 근거

ORD 기록
ord-4c582011248f4abfa537240df42717bc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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