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Sodium Ion → 1-(2-(Difluoromethyl)-6-methylpyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

HRID 2337776
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HRID 2337776 반응식
[Br:1][c:2]1[cH:3][c:4]([C:8]2([c:19]3[cH:20][c:21]([CH:26]([F:27])[F:28])[n:22][c:23]([CH3:25])[cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[n:29]1[cH:30][n:31][cH:32][c:33]([B:35]([OH:36])[OH:37])[cH:34]1>>[c:2]1(-[c:33]2[cH:32][n:31][cH:30][n:29][cH:34]2)[cH:3][c:4]([C:8]2([c:19]3[cH:20][c:21]([CH:26]([F:27])[F:28])[n:22][c:23]([CH3:25])[cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1
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참가 물질

6

반응물 5

HCID 923Sodium Ion2회HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 2795193(Pyrimidin-5-yl)boronic acidHCID 585795231-(3-Bromophenyl)-1-(2-(difluoromethyl)-6-methylpyridin-4-yl)-4-fluoro-1H-isoindol-3-amine

생성물 1

HCID 46202082
1-(2-(Difluoromethyl)-6-methylpyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

출처 및 근거

ORD 기록
ord-0809372fa143449a9e84fb8071fcdb06
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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