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Potassium Cation → Propane-1-sulfonic acid{2,4-difluoro-3-[hydroxy-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-methyl]-phenyl}-amide

HRID 1144174
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HRID 1144174 반응식
[CH3:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[nH:8][cH:9][cH:10]2.[CH3:30][OH:31].[F:11][c:12]1[c:13]([NH:21][S:22](=[O:23])(=[O:24])[CH2:25][CH2:26][CH3:27])[cH:14][cH:15][c:16]([F:20])[c:17]1[CH:18]=[O:19].[K+:29].[OH-:28]>>[CH3:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[nH:8][cH:9][c:10]2[CH:18]([c:17]1[c:12]([F:11])[c:13]([NH:21][S:22](=[O:23])(=[O:24])[CH2:25][CH2:26][CH3:27])[cH:14][cH:15][c:16]1[F:20])[OH:19]
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HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 513419594-Methyl-7H-pyrrolo(2,3-d)pyrimidineHCID 53419003N-(2,4-Difluoro-3-formylphenyl)-1-propanesulfonamide

생성물 1

HCID 57963260Propane-1-sulfonic acid{2,4-difluoro-3-[hydroxy-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-methyl]-phenyl}-amide

출처 및 근거

ORD 기록
ord-861915295aec487e9ba9b1bd2b17736d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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