Dimethyl Sulfoxide → 6-Amino-2-butoxy-9-(3-pyrrolidin-1-ylpropyl)-7,9-dihydro-8H-purin-8-one

반응식

[CH2:21]1[CH2:22][CH2:23][NH:24][CH2:25]1.[CH3:26][S:27]([CH3:28])=[O:29].[NH2:1][c:2]1[c:3]2[nH:4][c:5](=[O:20])[n:6]([CH2:16][CH2:17][CH2:18][Cl:19])[c:7]2[n:8][c:9]([O:11][CH2:12][CH2:13][CH2:14][CH3:15])[n:10]1>>[NH2:1][c:2]1[c:3]2[nH:4][c:5](=[O:20])[n:6]([CH2:16][CH2:17][CH2:18][N:24]3[CH2:23][CH2:22][CH2:21][CH2:25]3)[c:7]2[n:8][c:9]([O:11][CH2:12][CH2:13][CH2:14][CH3:15])[n:10]1

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 31268Pyrrolidine

HCID 674649416-Amino-9-(3-chloropropyl)-2-butoxy-7,9-dihydro-8H-purin-8-one

생성물 1

HCID 250720776-Amino-2-butoxy-9-(3-pyrrolidin-1-ylpropyl)-7,9-dihydro-8H-purin-8-one

출처 및 근거

ORD 기록: ord-893bc61c179846f1872b33ab3a9d7e12
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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