Pentylbenzene → {4-[4-(2,4-Dichloro-phenyl)-2-(4'-pentyl-biphenyl-4-ylmethyl)-imidazol-1-yl]-phenylamino}-acetic acid methyl ester
반응식
[BH:34]([OH:35])[OH:36].[CH2:37]([CH2:38][CH2:39][CH2:40][CH3:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:1][O:2][C:3]([CH2:4][NH:5][c:6]1[cH:7][cH:8][c:9](-[n:12]2[c:13]([CH2:25][c:26]3[cH:27][cH:28][c:29]([Br:32])[cH:30][cH:31]3)[n:14][c:15](-[c:17]3[c:18]([Cl:24])[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[cH:16]2)[cH:10][cH:11]1)=[O:33]>>[CH3:1][O:2][C:3]([CH2:4][NH:5][c:6]1[cH:7][cH:8][c:9](-[n:12]2[c:13]([CH2:25][c:26]3[cH:27][cH:28][c:29](-[c:45]4[cH:44][cH:43][c:42]([CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[cH:47][cH:46]4)[cH:30][cH:31]3)[n:14][c:15](-[c:17]3[c:18]([Cl:24])[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[cH:16]2)[cH:10][cH:11]1)=[O:33]참가 물질
4
출처 및 근거
- ORD 기록
- ord-d157fd441de74df2a4466c43fbcf00ef
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
- DOI