Trifluoroacetic acid → 9-(4-Chlorobutyl)-2-(cyclobutyloxy)-8-(methyloxy)-9H-purin-6-amine
반응식
[Br:47][CH2:48][CH2:49][CH2:50][CH2:51][Cl:52].[CH:30]1([O:31][c:32]2[nH:33][c:34]([NH2:35])[c:36]3[n:43][c:40]([O:41][CH3:42])[n:39][c:37]-3[n:38]2)[CH2:44][CH2:45][CH2:46]1.[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][n:6]1[c:7]2[n:8][c:9]([O:18][CH:19]([CH2:20][CH3:21])[CH3:22])[n:10][c:11]([NH2:17])[c:12]2[n:13][c:14]1[O:15][CH3:16].[F:23][C:24]([F:25])([F:26])[C:27]([OH:28])=[O:29]>>[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][n:6]1[c:7]2[n:8][c:9]([O:18][CH:19]3[CH2:20][CH2:21][CH2:22]3)[n:10][c:11]([NH2:17])[c:12]2[n:13][c:14]1[O:15][CH3:16]참가 물질
5
출처 및 근거
- ORD 기록
- ord-b102de4b05714842954bee36c488b0ea
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)