Dimethylformamide → 2-[2-[[(2,6-Dimethyl-3-pyridinyl)amino]methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol

HRID 176907

반응식

HRID 176907 반응식
[CH3:1][S:2]([O:3][CH2:6][c:7]1[n:8][c:9]([NH:26][CH2:27][CH:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[O:17][CH:18]([CH2:23][O:24][CH3:25])[CH:19]([OH:22])[CH:20]3[OH:21])[c:14]2[n:15]1)(=[O:4])=[O:5].[CH3:41][c:42]1[n:43][c:44]([CH3:49])[cH:45][cH:46][c:47]1[NH2:48].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67]>>[CH2:6]([c:7]1[n:8][c:9]([NH:26][CH2:27][CH:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:10]2[n:11][cH:12][n:13]([CH:16]3[O:17][CH:18]([CH2:23][O:24][CH3:25])[CH:19]([OH:22])[CH:20]3[OH:21])[c:14]2[n:15]1)[NH:48][c:47]1[c:42]([CH3:41])[n:43][c:44]([CH3:49])[cH:45][cH:46]1

참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 769642,6-Dimethyl-3-pyridylamineHCID 18348410[9-[3,4-Dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]methyl methanesulfonate

생성물 1

HCID 183484532-[2-[[(2,6-Dimethyl-3-pyridinyl)amino]methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol

출처 및 근거

ORD 기록
ord-891456ce56964c2781e1a06dd423891b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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