HRID692824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID7139

Benzeneacetic acid, 3,4-dimethoxy-

C10H12O4

2 次

HCID24386

Thionyl chloride

Cl2OS

HCID12814098

Ethyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate

C13H19NO4

PRODUCTS

产物

反应SMILES：CCOC(=O)C(CNC(=O)Cc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1

HCID13560525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-06a331cbdd5f464899b775647dcc7190
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

[CH2:2]([CH3:3])[O:4][C:5]([CH:6]([c:7]1[cH:8][c:9]([O:15][CH3:16])[c:10]([O:13][CH3:14])[cH:11][cH:12]1)[CH2:17][NH2:18])=[O:19].[CH2:62]([Cl:63])[Cl:64].[CH3:23][O:24][c:25]1[cH:26][c:27]([CH2:33][C:34](=[O:35])[OH:36])[cH:28][cH:29][c:30]1[O:31][CH3:32].[CH3:41][O:42][c:43]1[cH:44][c:45]([CH2:46][C:47]([OH:48])=[O:49])[cH:50][cH:51][c:52]1[O:53][CH3:54].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl-:22].[ClH:1].[Na+:21].[OH-:20].[OH2:65].[S:37]([Cl:38])([Cl:39])=[O:40]>>[CH2:2]([CH3:3])[O:4][C:5]([CH:6]([c:7]1[cH:8][c:9]([O:15][CH3:16])[c:10]([O:13][CH3:14])[cH:11][cH:12]1)[CH2:17][NH:18][C:34]([CH2:33][c:27]1[cH:26][c:25]([O:24][CH3:23])[c:30]([O:31][CH3:32])[cH:29][cH:28]1)=[O:35])=[O:19]