Methyl 4-(chlorocarbonyl)benzoate → 4-[[1-[(3-Chlorophenyl)methyl]-5-fluoroindazol-3-yl]carbamoyl]benzoic acid
반응식
[CH3:20][O:21][C:22](=[O:23])[c:24]1[cH:25][cH:26][c:27]([C:28]([Cl:29])=[O:30])[cH:31][cH:32]1.[CH3:33][O:34][C:35]([c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[NH:42][c:43]2[n:44][n:45]([CH2:53][c:54]3[cH:55][c:56]([Cl:60])[cH:57][cH:58][cH:59]3)[c:46]3[cH:47][cH:48][c:49]([F:52])[cH:50][c:51]23)[cH:61][cH:62]1)=[O:63].[Cl:1][c:2]1[cH:3][c:4]([CH2:8][n:9]2[c:10]3[c:11]([cH:12][c:13]([F:14])[cH:15][cH:16]3)[c:17]([NH2:18])[n:19]2)[cH:5][cH:6][cH:7]1>>[O:34]=[C:35]([c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[NH:42][c:43]2[n:44][n:45]([CH2:53][c:54]3[cH:55][c:56]([Cl:60])[cH:57][cH:58][cH:59]3)[c:46]3[cH:47][cH:48][c:49]([F:52])[cH:50][c:51]23)[cH:61][cH:62]1)[OH:63]참가 물질
4
출처 및 근거
- ORD 기록
- ord-5c3665108feb40d7ba0b5867939f7882
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
- DOI