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Pyridine → N-{7-cyano-6-[3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide

HRID 314611
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HRID 314611 반응식
[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[F:26][C:27]([c:28]1[cH:29][c:30]([CH2:34][C:35](=[O:36])[OH:37])[cH:31][cH:32][cH:33]1)([F:38])[F:39].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([C:21]#[N:22])[c:8]3[c:9]([n:10][c:11]([NH:13][C:14](=[O:15])[CH:16]4[CH2:17][CH2:18]4)[s:12]3)[cH:19][cH:20]2)[cH:23][cH:24][cH:25]1.[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([C:21]#[N:22])[c:8]3[c:9]([n:10][c:11]([NH:13][C:14](=[O:15])[CH:16]4[CH2:17][CH2:18]4)[s:12]3)[cH:19][cH:20]2)[cH:23][cH:24][cH:25]1)[C:35]([CH2:34][c:30]1[cH:29][c:28]([C:27]([F:26])([F:38])[F:39])[cH:33][cH:32][cH:31]1)=[O:36]
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참가 물질

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반응물 4

HCID 1049PyridineHCID 8857Ethyl AcetateHCID 676953-(Trifluoromethyl)benzeneacetic acidHCID 86644685N-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

생성물 1

HCID 46222581N-{7-cyano-6-[3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide

출처 및 근거

ORD 기록
ord-a9b75408be3342e989e2ed9db2d8a2ad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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