HRID1203794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66918

3-Chloropropyl(diethyl)amine

C7H16ClN

HCID3517936

2-phenylbenzofuran

C14H10O

HCID12391447

未命名化合物

结构：COc1ccc(C(=O)c2c(-c3cc(C)cc(C)c3)oc3ccccc23)cc1

HCID21435295

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCCOc1ccc(C(=O)c2c(-c3cc(C)cc(C)c3)oc3ccccc23)cc1

HCID21435332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d109b5b84bea4cbbb596a182dcca6285
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:60]([CH3:61])[N:62]([CH2:63][CH2:64][CH2:65][Cl:66])[CH2:67][CH3:68].[CH3:1][c:2]1[cH:3][c:4](-[c:5]2[o:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[cH:13]2)[cH:14][c:15]([CH3:16])[cH:17]1.[CH3:33][c:34]1[cH:35][c:36](-[c:41]2[o:42][c:43]3[c:44]([c:45]2[C:46]([c:47]2[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]2)=[O:55])[cH:56][cH:57][cH:58][cH:59]3)[cH:37][c:38]([CH3:40])[cH:39]1.[c:18]1(-[c:19]2[o:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[cH:27]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH3:33][c:34]1[cH:35][c:36](-[c:41]2[o:42][c:43]3[c:44]([c:45]2[C:46]([c:47]2[cH:48][cH:49][c:50]([O:53][CH2:54][CH2:64][CH2:63][N:62]([CH2:60][CH3:61])[CH2:67][CH3:68])[cH:51][cH:52]2)=[O:55])[cH:56][cH:57][cH:58][cH:59]3)[cH:37][c:38]([CH3:40])[cH:39]1