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Water → N-(5-{[2-(acetylamino)[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy}-2-fluorophenyl)-2-chloro-3-(1-cyano-1-methylethoxy)benzamide

HRID 675278
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HRID 675278 반응식
[CH3:17][N:18]([CH3:19])[CH:20]=[O:21].[CH3:51][N:52]([CH3:53])[C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[O:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16].[Cl:45][C:46]([C:47]([Cl:48])=[O:49])=[O:50].[NH2:22][c:23]1[cH:24][c:25]([O:26][c:27]2[cH:28][cH:29][c:30]3[c:31]([n:32]2)[s:33][c:34]([NH:36][C:37]([CH3:38])=[O:39])[n:35]3)[cH:40][cH:41][c:42]1[F:43].[OH2:44]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:22][c:23]2[cH:24][c:25]([O:26][c:27]3[cH:28][cH:29][c:30]4[c:31]([n:32]3)[s:33][c:34]([NH:36][C:37]([CH3:38])=[O:39])[n:35]4)[cH:40][cH:41][c:42]2[F:43])[cH:7][cH:8][cH:9][c:10]1[O:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16]
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참가 물질

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반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 31374DimethylacetamideHCID 65578Oxalyl chlorideHCID 684177462-Chloro-3-(1-cyano-1-methylethoxy)benzoic acidHCID 86646025N-(5-(3-amino-4-fluorophenoxy)[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide

생성물 1

HCID 59507050
N-(5-{[2-(acetylamino)[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy}-2-fluorophenyl)-2-chloro-3-(1-cyano-1-methylethoxy)benzamide

출처 및 근거

ORD 기록
ord-15494e49f6bb4e2d86ce98387b5cd5c1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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