HRID1225913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID7288

3-Pentanone

C5H10O

HCID19660

Carbonate

CO3-2

HCID66918

3-Chloropropyl(diethyl)amine

C7H16ClN

结构：O=C(c1ccc(O)cc1)c1oc2ccccc2c1-c1ccc(Cl)cc1

HCID21435341

[3-(4-Chlorophenyl)-1-benzofuran-2-yl](4-hydroxyphenyl)methanone

C21H13ClO3

PRODUCTS

生成物

结构：CCN(CC)CCCOc1ccc(C(=O)c2oc3ccccc3c2-c2ccc(Cl)cc2)cc1

HCID21435290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c60d576441d4bb5b5cb241203cef884
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

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