HRID692675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID96084

N-(3-Chloropropyl)dibutylamine

C11H24ClN

结构：O=C(c1ccc(O)cc1)c1c(-c2ccccc2)oc2ccccc12

HCID13264991

(4-Hydroxyphenyl)(2-phenyl-1-benzofuran-3-yl)methanone

C21H14O3

PRODUCTS

生成物

结构：CCCCN(CCCC)CCCOc1ccc(C(=O)c2c(-c3ccccc3)oc3ccccc23)cc1

HCID21435318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87985833d77b4bc194133c1b5c54dc8a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:38](=[O:39])([O-:40])[O-:41].[CH2:25]([CH2:26][CH2:27][CH3:28])[N:29]([CH2:30][CH2:31][CH2:32][Cl:33])[CH2:34][CH2:35][CH2:36][CH3:37].[CH3:44][C:45](=[O:46])[CH2:47][CH3:48].[K+:42].[K+:43].[OH2:49].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[c:9](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[o:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[cH:23][cH:24]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[c:9](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[o:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[cH:23][cH:24]1)[CH2:32][CH2:31][CH2:30][N:29]([CH2:25][CH2:26][CH2:27][CH3:28])[CH2:34][CH2:35][CH2:36][CH3:37]