HRID94757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7852

Propylamine

C3H9N

结构：Cc1cc(NCC2(C(F)(F)F)CO2)c2cnn(-c3ccccc3)c2c1

HCID24938055

未命名化合物

结构：CCNCC(O)(CNc1cc(C)cc2c1cnn2-c1ccccc1)C(F)(F)F

HCID59324136

未命名化合物

PRODUCTS

生成物

结构：CCCNCC(O)(CNc1cc(C)cc2c1cnn2-c1ccccc1)C(F)(F)F

HCID59324127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3815fc7191da469f8ce5c81d94ea6d9e
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

[CH2:1]([CH3:2])[NH:3][CH2:4][C:5]([C:6]([F:7])([F:8])[F:9])([OH:10])[CH2:11][NH:12][c:13]1[c:14]2[cH:15][n:16][n:17](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:18]2[cH:19][c:20]([CH3:22])[cH:21]1.[CH2:29]([NH2:30])[CH2:31][CH3:32].[CH3:33][c:34]1[cH:35][c:36]([NH:37][CH2:38][C:39]2([C:40]([F:41])([F:42])[F:43])[CH2:44][O:45]2)[c:46]2[cH:47][n:48][n:49](-[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:56]2[cH:57]1>>[CH2:1]([CH2:2][CH3:29])[NH:3][CH2:4][C:5]([C:6]([F:7])([F:8])[F:9])([OH:10])[CH2:11][NH:12][c:13]1[c:14]2[cH:15][n:16][n:17](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:18]2[cH:19][c:20]([CH3:22])[cH:21]1