HRID121307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID74709

3,4-Dimethoxy-5-hydroxybenzoic acid

C9H10O5

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18464564

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

C12H17NO

PRODUCTS

生成物

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

HCID18464599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b69232ba6c39431ba15be261c11ffd6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH3:15][O:16][c:17]1[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][c:24]([OH:28])[c:25]1[O:26][CH3:27].[Cl:52][CH2:53][Cl:54].[ClH:40].[OH2:29].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1.[c:1]1([C:7]2([CH2:12][CH2:13][OH:14])[CH2:8][NH:9][CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2([CH2:12][CH2:13][OH:14])[CH2:8][N:9]([C:20]([c:19]3[cH:18][c:17]([O:16][CH3:15])[c:25]([O:26][CH3:27])[c:24]([OH:28])[cH:23]3)=[O:21])[CH2:10][CH2:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1