Hydrochloric Acid → 4-(1-(Isoquinolin-6-ylamino)-3-(methylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
反応式
[CH3:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][c:8]2[cH:9][cH:10][c:11]([CH:14]([C:15](=[O:16])[NH:17][c:18]3[cH:19][c:20]4[cH:21][cH:22][n:23][cH:24][c:25]4[cH:26][cH:27]3)[CH2:28][N:29]([CH3:30])[C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[cH:12][cH:13]2)[cH:38][cH:39][c:40]([CH3:42])[cH:41]1.[Cl:44][CH2:45][Cl:46].[ClH:43]>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][c:8]2[cH:9][cH:10][c:11]([CH:14]([C:15](=[O:16])[NH:17][c:18]3[cH:19][c:20]4[cH:21][cH:22][n:23][cH:24][c:25]4[cH:26][cH:27]3)[CH2:28][NH:29][CH3:30])[cH:12][cH:13]2)[cH:38][cH:39][c:40]([CH3:42])[cH:41]1参加物
4
出典と根拠
- ORDレコード
- ord-bee8d6d4d1e34e14b482bd09d45a3bb8
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)