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Potassium Cation → 2-(4-((2-Amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)-3-fluorophenyl)acetic acid

HRID 163949
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HRID 163949 반응식
[CH3:28][OH:29].[K+:2].[NH2:3][c:4]1[n:5][c:6]([NH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[c:7]([CH2:11][c:12]2[c:13]([F:21])[cH:14][c:15]([CH2:18][C:19]#[N:20])[cH:16][cH:17]2)[c:8]([CH3:10])[n:9]1.[OH-:1]>>[O:1]=[C:19]([CH2:18][c:15]1[cH:14][c:13]([F:21])[c:12]([CH2:11][c:7]2[c:6]([NH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[n:5][c:4]([NH2:3])[n:9][c:8]2[CH3:10])[cH:17][cH:16]1)[OH:29]
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반응물 4

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 684148972-(4-((2-Amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)-3-fluorophenyl)acetonitrile

생성물 1

HCID 689594772-(4-((2-Amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)-3-fluorophenyl)acetic acid

출처 및 근거

ORD 기록
ord-92c257f69ff241c3bac260c1eefc3340
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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