Isopropanol → [4-Benzoyloxy-5-[6-[(2-benzyl-3-phenylpropyl)amino]-2-iodopurin-9-yl]-2-(ethylcarbamoyl)oxolan-3-yl] benzoate
반응식
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH:11]([n:29]2[c:30]3[n:31][c:32]([I:39])[n:33][c:34]([Cl:38])[c:35]3[n:36][cH:37]2)[O:12][CH:13]([C:24](=[O:25])[NH:26][CH2:27][CH3:28])[CH:14]1[O:15][C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23].[CH2:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]([CH2:48][NH2:49])[CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:57]([OH:58])([CH3:59])[CH3:60]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH:11]([n:29]2[c:30]3[n:31][c:32]([I:39])[n:33][c:34]([NH:49][CH2:48][CH:47]([CH2:40][c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[CH2:50][c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[c:35]3[n:36][cH:37]2)[O:12][CH:13]([C:24](=[O:25])[NH:26][CH2:27][CH3:28])[CH:14]1[O:15][C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[O:23]참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-d596b67f819044b9a7e03478fac0034d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)