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Benzene → 5-(2-chloro-4-nitro-benzoyl)-1H-pyrrole-2-carboxylic acid (3-fluoro-phenyl)-amide

HRID 95130
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반응식

HRID 95130 반응식
[Cl:29][c:30]1[c:31]([C:32](=[O:33])[Cl:34])[cH:35][cH:36][c:37]([N+:39](=[O:40])[O-:41])[cH:38]1.[F:1][c:2]1[cH:3][c:4]([NH:8][C:9](=[O:10])[c:11]2[nH:12][c:13](-[c:16]3[c:17]4[c:18]([cH:19][cH:20][c:21]([C:22]([F:23])([F:24])[F:25])[cH:26]4)[nH:27][n:28]3)[cH:14][cH:15]2)[cH:5][cH:6][cH:7]1.[Sn:42]([Cl:43])([Cl:44])([Cl:45])[Cl:46].[cH:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[F:1][c:2]1[cH:3][c:4]([NH:8][C:9](=[O:10])[c:11]2[nH:12][c:13]([C:32]([c:31]3[c:30]([Cl:29])[cH:38][c:37]([N+:39](=[O:40])[O-:41])[cH:36][cH:35]3)=[O:33])[cH:14][cH:15]2)[cH:5][cH:6][cH:7]1
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5

반응물 4

HCID 241BenzeneHCID 24287Tin tetrachlorideHCID 81522Benzoyl chloride, 2-chloro-4-nitro-HCID 1355312255-(5-Trifluoromethyl-1H-indazol-3-yl)-1H-pyrrole-2-carboxylic Acid (3-fluoro-phenyl)-amide

생성물 1

HCID 865922515-(2-chloro-4-nitro-benzoyl)-1H-pyrrole-2-carboxylic acid (3-fluoro-phenyl)-amide

출처 및 근거

ORD 기록
ord-c5ff9df1f22340529cdf951c97e72f0f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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