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Pyridine → N-(3-{[2-(acetylamino)-7-cyano-1,3-benzothiazol-6-yl]oxy}phenyl)-3-(1-cyano-1-methylethoxy)benzamide

HRID 1565772
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HRID 1565772 반응식
[C:24](#[N:25])[C:26]([CH3:27])([O:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37]1)[CH3:38].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([C:19]#[N:20])[c:8]3[c:9]([n:10][c:11]([NH:13][C:14]([CH3:15])=[O:16])[s:12]3)[cH:17][cH:18]2)[cH:21][cH:22][cH:23]1.[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[cH:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([C:19]#[N:20])[c:8]3[c:9]([n:10][c:11]([NH:13][C:14]([CH3:15])=[O:16])[s:12]3)[cH:17][cH:18]2)[cH:21][cH:22][cH:23]1)[C:32]([c:31]1[cH:30][c:29]([O:28][C:26]([C:24]#[N:25])([CH3:27])[CH3:38])[cH:37][cH:36][cH:35]1)=[O:33]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 1049PyridineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 668104733-(1-Cyano-1-methylethoxy)benzoic acidHCID 86644686N-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamide

생성물 1

HCID 59454485N-(3-{[2-(acetylamino)-7-cyano-1,3-benzothiazol-6-yl]oxy}phenyl)-3-(1-cyano-1-methylethoxy)benzamide

출처 및 근거

ORD 기록
ord-0c6733755918434db4548b630b70cee1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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