4-(Dimethylamino)butan-1-ol → 4-(Dimethylamino)butyl 2-(4-((2-amino-4-(butylamino)-6-methylpyrimidin-5-yl)methyl)-3-hydroxyphenyl)acetate

HRID 144927

반응식

HRID 144927 반응식
[CH3:26][N:27]([CH2:28][CH2:29][CH2:30][CH2:31][OH:32])[CH3:33].[NH2:1][c:2]1[n:3][c:4]([CH3:25])[c:5]([CH2:13][c:14]2[c:15]([OH:24])[cH:16][c:17]([CH2:20][C:21](=[O:22])[OH:23])[cH:18][cH:19]2)[c:6]([NH:8][CH2:9][CH2:10][CH2:11][CH3:12])[n:7]1>>[NH2:1][c:2]1[n:3][c:4]([CH3:25])[c:5]([CH2:13][c:14]2[c:15]([OH:24])[cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH2:31][CH2:30][CH2:29][CH2:28][N:27]([CH3:26])[CH3:33])[cH:18][cH:19]2)[c:6]([NH:8][CH2:9][CH2:10][CH2:11][CH3:12])[n:7]1

참가 물질

3

반응물 2

HCID 833504-(Dimethylamino)butan-1-olHCID 684141362-(4-((2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl)methyl)-3-hydroxyphenyl)acetic acid

생성물 1

HCID 578248444-(Dimethylamino)butyl 2-(4-((2-amino-4-(butylamino)-6-methylpyrimidin-5-yl)methyl)-3-hydroxyphenyl)acetate

출처 및 근거

ORD 기록
ord-638ee24b06d14f9981b118bb581d1b1b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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