HRID2319545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID66960

Dimethylaminopropyl chloride

C5H12ClN

结构：CCOC(=O)c1ccc(-c2ccc(O)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID57552328

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2ccc(OCCCN(C)C)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID11306847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a02741e9b1204c7fb93fd47e6f4fafdf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:9](=[O:10])([O-:11])[O-:12].[CH3:2][N:3]([CH2:4][CH2:5][CH2:6][Cl:7])[CH3:8].[CH3:48][C:49](=[O:50])[CH3:51].[ClH:1].[K+:13].[K+:14].[OH2:47].[OH:15][c:16]1[c:17](-[c:33]2[cH:34][c:35]3[c:40]([cH:41][cH:42]2)[C:39]([CH3:43])([CH3:44])[CH2:38][CH2:37][C:36]3([CH3:45])[CH3:46])[cH:18][c:19](-[c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:26][cH:27]2)[cH:20][cH:21]1>>[CH3:2][N:3]([CH2:4][CH2:5][CH2:6][O:15][c:16]1[c:17](-[c:33]2[cH:34][c:35]3[c:40]([cH:41][cH:42]2)[C:39]([CH3:43])([CH3:44])[CH2:38][CH2:37][C:36]3([CH3:45])[CH3:46])[cH:18][c:19](-[c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:26][cH:27]2)[cH:20][cH:21]1)[CH3:8]