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Water → 2-(3-Fluoro-phenyl)-4-methyl-pyrimidine-5-carboxylic acid (5-fluoro-3,3-dimethyl-2,3-dihydro-indol-1-yl)-amide

HRID 690876
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HRID 690876 반응식
[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:16])[OH:17])[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1.[F:27][c:28]1[cH:29][c:30]2[c:34]([cH:35][cH:36]1)[N:33]([NH2:37])[CH2:32][C:31]2([CH3:38])[CH3:39].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:51]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:17])[NH:37][N:33]3[CH2:32][C:31]([CH3:38])([CH3:39])[c:30]4[cH:29][c:28]([F:27])[cH:36][cH:35][c:34]43)[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1
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반응물 6

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 617025872-(3-Fluorophenyl)-4-methylpyrimidine-5-carboxylic acidHCID 68555288HCID 68555288, 화합물

생성물 1

HCID 25099518
2-(3-Fluoro-phenyl)-4-methyl-pyrimidine-5-carboxylic acid (5-fluoro-3,3-dimethyl-2,3-dihydro-indol-1-yl)-amide

출처 및 근거

ORD 기록
ord-c25f231a78604c3b94b3caeb9e91bfbf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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