Ethylenediamine → N-(2-aminoethyl)-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purine-2-carboxamide
반응식
[CH2:38]([CH2:39][NH2:40])[NH2:41].[Cl:42][CH2:43][Cl:44].[OH:1][CH:2]1[CH:3]([n:10]2[c:11]3[n:12][c:13]([C:34]([O:36][CH3:35])=[O:37])[n:14][c:15]([NH:19][CH2:20][CH:21]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:16]3[n:17][cH:18]2)[O:4][CH:5]([CH2:8][OH:9])[CH:6]1[OH:7]>>[OH:1][CH:2]1[CH:3]([n:10]2[c:11]3[n:12][c:13]([C:34](=[O:36])[NH:41][CH2:38][CH2:39][NH2:40])[n:14][c:15]([NH:19][CH2:20][CH:21]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:16]3[n:17][cH:18]2)[O:4][CH:5]([CH2:8][OH:9])[CH:6]1[OH:7]참가 물질
4
출처 및 근거
- ORD 기록
- ord-3e761a8220d74891bc2db026913b4ce8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)