(3,4,5-Trifluorophenyl)boronic Acid (contains varying amounts of Anhydride) → 6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)-piperazin-1-yl)-4-(3,4,5-trifluorophenyl)-1H-benzo[d]imidazole
反応式
[Br:1][c:2]1[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[cH:5][c:6]2[nH:7][c:8]([N:11]3[CH2:12][CH2:13][N:14]([c:17]4[n:18][cH:19][cH:20][cH:21][c:22]4[C:23]([F:24])([F:25])[F:26])[CH2:15][CH2:16]3)[n:9][c:10]12.[F:31][c:32]1[cH:33][c:34]([B:40]([OH:41])[OH:42])[cH:35][c:36]([F:39])[c:37]1[F:38]>>[c:2]1(-[c:34]2[cH:33][c:32]([F:31])[c:37]([F:38])[c:36]([F:39])[cH:35]2)[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[cH:5][c:6]2[nH:7][c:8]([N:11]3[CH2:12][CH2:13][N:14]([c:17]4[n:18][cH:19][cH:20][cH:21][c:22]4[C:23]([F:24])([F:25])[F:26])[CH2:15][CH2:16]3)[n:9][c:10]12参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-9da8bd4ad3ce4ecb848009fa24469a04
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)