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Dimethylformamide → 2-{[2-(3,3-dimethyl-ureido)-pyridin-4-ylmethyl]-amino}-6-fluoro-N-(2-methyl-2H-indazol-6-yl)-benzamide

HRID 689315
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HRID 689315 반응식
[Br:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][NH:9][c:10]2[c:11]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][c:18]4[cH:19][n:20]([CH3:24])[n:21][c:22]4[cH:23]3)[c:25]([F:29])[cH:26][cH:27][cH:28]2)[cH:7]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][N:42]([C:43](=[O:44])[NH2:45])[CH3:46].[Cs+:39].[Cs+:40].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[c:2]1([NH:45][C:43]([N:42]([CH3:41])[CH3:46])=[O:44])[n:3][cH:4][cH:5][c:6]([CH2:8][NH:9][c:10]2[c:11]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][c:18]4[cH:19][n:20]([CH3:24])[n:21][c:22]4[cH:23]3)[c:25]([F:29])[cH:26][cH:27][cH:28]2)[cH:7]1
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반응물 6

HCID 6228DimethylformamideHCID 11737N,N-DimethylureaHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2회HCID 231189892-[(2-Bromo-pyridin-4-ylmethyl)-amino]-6-fluoro-N-(2-methyl-2H-indazol-6-yl)-benzamide

생성물 1

HCID 11626768
2-{[2-(3,3-dimethyl-ureido)-pyridin-4-ylmethyl]-amino}-6-fluoro-N-(2-methyl-2H-indazol-6-yl)-benzamide

출처 및 근거

ORD 기록
ord-43c1e68b324145149270013efce36ee8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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