HRID295936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID78282

Benzoyl chloride, 3,4,5-trimethoxy-

C10H11ClO4

HCID18464564

2-(3-Phenylpyrrolidin-3-yl)ethan-1-ol

C12H17NO

结构：COc1ccc(C(=O)OC(C(=O)O)(C(=O)c2ccc(OC)cc2)C(O)C(=O)O)cc1

HCID53442701

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC(CCO)(c3ccccc3)C2)cc(OC)c1OC

HCID18464959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7271cea60cc74ba98e924d24fc569dff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([O:2][C:3]([C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([O:10][CH3:11])[cH:12][cH:13]1)([CH:14]([C:15]([OH:16])=[O:17])[OH:18])[C:19]([OH:20])=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([O:27][CH3:28])[cH:29][cH:30]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][O:53][c:54]1[cH:55][c:56]([C:57](=[O:58])[Cl:59])[cH:60][c:61]([O:65][CH3:66])[c:62]1[O:63][CH3:64].[CH3:67][C:68](=[O:69])[CH3:70].[K+:50].[K+:51].[OH2:45].[c:31]1([C:37]2([CH2:42][CH2:43][OH:44])[CH2:38][NH:39][CH2:40][CH2:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:31]1([C:37]2([CH2:42][CH2:43][OH:44])[CH2:38][N:39]([C:57]([c:56]3[cH:55][c:54]([O:53][CH3:52])[c:62]([O:63][CH3:64])[c:61]([O:65][CH3:66])[cH:60]3)=[O:58])[CH2:40][CH2:41]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1