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

HRID 1130736
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반응식

HRID 1130736 반응식
[CH3:29][OH:30].[K+:2].[NH2:3][c:4]1[n:5][c:6]([NH:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[c:7]([CH2:11][c:12]2[c:13]([O:21][CH3:22])[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]([O:21][CH3:22])[c:12]([CH2:11][c:7]2[c:6]([NH:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[n:5][c:4]([NH2:3])[n:9][c:8]2[CH3:10])[cH:17][cH:16]1)[OH:30]
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반응물 4

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 689540842-(4-((2-Amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)-3-methoxyphenyl)acetonitrile

생성물 1

HCID 689580582-(4-((2-Amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)methyl)-3-methoxyphenyl)acetic acid

출처 및 근거

ORD 기록
ord-84e7b278c28c4ffa96b233d11987f62f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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