HRID96301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17895752

3,3,3-Trifluoro-1-phenylpropan-1-amine

C9H10F3N

结构：Cc1ccccc1C(CCO)NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O

HCID72319490

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O)NC(CC(F)(F)F)c1ccccc1

HCID72319480

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2588e1670e67441083886f3588dcfbec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:21][C:22](=[O:23])[NH:24][CH:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[CH3:32])[CH2:33][CH2:34][OH:35])[c:11](=[O:20])[n:12]2[CH2:13][CH:14]([C:15]([F:16])([F:17])[F:18])[OH:19])[cH:6][cH:7]1.[F:36][C:37]([CH2:38][CH:39]([NH2:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)([F:47])[F:48]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:21][C:22](=[O:23])[NH:40][CH:39]([CH2:38][C:37]([F:36])([F:47])[F:48])[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[c:11](=[O:20])[n:12]2[CH2:13][CH:14]([C:15]([F:16])([F:17])[F:18])[OH:19])[cH:6][cH:7]1