HRID213020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID88696

Bis(2,4-dimethoxybenzyl)amine

C18H23NO4

HCID145222

3-Chloro-4-fluorobenzenesulphonyl chloride

C6H3Cl2FO2S

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1

HCID67227637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a40749acb7e4b6fb83dca92ee50a7c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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