Ethylene Glycol → 5-[5-(2-Hydroxyethoxymethyl)-2-n-propoxyphenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

반응식

[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:23][CH2:24][CH2:25][CH3:26])[c:7](-[c:9]2[nH:10][c:11](=[O:22])[c:12]3[c:13]([n:14]2)[c:15]([CH2:19][CH2:20][CH3:21])[n:16][n:17]3[CH3:18])[cH:8]1.[OH:27][CH2:28][CH2:29][OH:30]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([O:23][CH2:24][CH2:25][CH3:26])[c:7](-[c:9]2[nH:10][c:11](=[O:22])[c:12]3[c:13]([n:14]2)[c:15]([CH2:19][CH2:20][CH3:21])[n:16][n:17]3[CH3:18])[cH:8]1)[O:30][CH2:29][CH2:28][OH:27]

참가 물질

반응물 2

HCID 174Ethylene Glycol

HCID 1361162095-(5-Chloromethyl-2-n-propoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo-[4,3-d]pyrimidin-7-one

생성물 1

HCID 1360672595-[5-(2-Hydroxyethoxymethyl)-2-n-propoxyphenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

출처 및 근거

ORD 기록: ord-18ea5fe2022749e7a69e9fba368d7c0c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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