HRID2339638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62324

Propanoyl chloride

C3H5ClO

HCID87697

2-(Methylthio)ethylamine

C3H9NS

HCID498716

未命名化合物

HCID11769096

5-Methoxy-3-Chromanone

C10H10O3

PRODUCTS

生成物

HCID14703431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82503cc17be4434f83f2146e86a4d477
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:23]([BH3-:24])#[N:25].[C:29]([CH2:30][CH3:31])(=[O:32])[Cl:33].[CH3:18][S:19][CH2:20][CH2:21][NH2:22].[CH3:1][C:2](=[O:3])[OH:4].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][CH2:42][OH:43].[CH3:44][OH:45].[CH3:5][O:6][c:7]1[c:8]2[c:13]([cH:14][cH:15][cH:16]1)[O:12][CH2:11][C:10](=[O:17])[CH2:9]2.[Cl:46][CH2:47][Cl:48].[Na+:26].[Na+:28].[OH-:27].[OH2:49]>>[CH3:5][O:6][c:7]1[c:8]2[c:13]([cH:14][cH:15][cH:16]1)[O:12][CH2:11][CH:10]([N:22]([CH2:21][CH2:20][S:19][CH3:18])[C:29]([CH2:30][CH3:31])=[O:32])[CH2:9]2