Dimethyl Sulfoxide → 3-{4-[6-(1-Hydroxymethyl-propylamino)-2-oxo-3-propyl-3,7-dihydro2H-purin-8-yl]-bicyclo[2.2.2]oct-1-yl]-propionic acid methyl ester
반응식
[CH3:1][O:2][C:3]([CH2:4][CH2:5][C:6]12[CH2:7][CH2:8][C:9]([c:14]3[n:15][c:16]4[n:17]([CH2:26][CH2:27][CH3:28])[c:18](=[O:25])[n:19][c:20]([S:23][CH3:24])[c:21]4[nH:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2)=[O:29].[CH3:36][S:37]([CH3:38])=[O:39].[NH2:30][CH:31]([CH2:32][OH:33])[CH2:34][CH3:35]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][C:6]12[CH2:7][CH2:8][C:9]([c:14]3[n:15][c:16]4[n:17]([CH2:26][CH2:27][CH3:28])[c:18](=[O:25])[n:19][c:20]([NH:30][CH:31]([CH2:32][OH:33])[CH2:34][CH3:35])[c:21]4[nH:22]3)([CH2:10][CH2:11]1)[CH2:12][CH2:13]2)=[O:29]참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-f600026e121a4a6e9126015d6abfeebb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)