HRID2138927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7852

Propylamine

C3H9N

反应SMILES：FC(F)(F)C1(CNc2cccc3c2cnn3-c2ccccc2)CO1

HCID24938053

未命名化合物

反应SMILES：CCNCC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F

HCID59324157

未命名化合物

PRODUCTS

产物

反应SMILES：CCCNCC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F

HCID59324171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-83f2fc4559654fcda94bd7321a51db6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:18]2[cH:19][cH:20][cH:21]1.[CH2:28]([NH2:29])[CH2:30][CH3:31].[c:32]1(-[n:33]2[c:34]3[cH:35][cH:36][cH:37][c:38]([NH:39][CH2:40][C:41]4([C:42]([F:43])([F:44])[F:45])[CH2:46][O:47]4)[c:48]3[cH:49][n:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH2:1]([CH2:2][CH3:28])[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:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:18]2[cH:19][cH:20][cH:21]1