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Dimethylformamide → 5-bromo-N-[4-chloro-5-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-2-fluorophenyl]-1-methyl-1H-pyrazole-4-carboxamide

HRID 290819
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HRID 290819 반응식
[Br:1][c:2]1[c:3]([C:8](=[O:9])[OH:10])[cH:4][n:5][n:6]1[CH3:7].[CH3:17][N:18]([CH3:19])[CH:20]=[O:21].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:11][C:12]([C:13]([Cl:14])=[O:15])=[O:16].[NH2:22][c:23]1[c:24]([F:48])[cH:25][c:26]([Cl:47])[c:27]([O:28][c:29]2[c:30]([C:44]#[N:45])[c:31]3[c:32]([n:33][c:34]([NH:36][C:37](=[O:38])[CH:39]4[CH2:40][CH2:41]4)[s:35]3)[cH:42][cH:43]2)[cH:46]1.[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[Br:1][c:2]1[c:3]([C:8](=[O:10])[NH:22][c:23]2[c:24]([F:48])[cH:25][c:26]([Cl:47])[c:27]([O:28][c:29]3[c:30]([C:44]#[N:45])[c:31]4[c:32]([n:33][c:34]([NH:36][C:37](=[O:38])[CH:39]5[CH2:40][CH2:41]5)[s:35]4)[cH:42][cH:43]3)[cH:46]2)[cH:4][n:5][n:6]1[CH3:7]
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참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 596795725-bromo-1-methyl-1H-pyrazole-4-carboxylic acidHCID 86644692N-[6-(5-amino-2-chloro-4-fluorophenoxy)-7-cyano-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

생성물 1

HCID 59454511
5-bromo-N-[4-chloro-5-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-2-fluorophenyl]-1-methyl-1H-pyrazole-4-carboxamide

출처 및 근거

ORD 기록
ord-066db48f9cf9493ab3a0be119b156640
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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