HRID204854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7239

1,2-Dichlorobenzene

C6H4Cl2

HCID31215

Triethyl phosphite

C6H15O3P

HCID70136

4-(Chloromethyl)benzoyl chloride

C8H6Cl2O

HCID6486025

2-amino-6-chlorophenol

C6H6ClNO

HCID20334431

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(-c2nc3cccc(Cl)c3o2)cc1)OCC

HCID20334424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38dc7f1b393849688a70ee6ba9b4e7b2
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

[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[o:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][cH:16][c:17]3[Cl:18])[cH:7][cH:8]1.[Cl:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([C:34]([Cl:35])=[O:36])[cH:37][cH:38]1.[Cl:60][c:61]1[cH:62][cH:63][cH:64][cH:65][c:66]1[Cl:67].[NH2:19][c:20]1[cH:21][cH:22][cH:23][c:24]([Cl:25])[c:26]1[OH:27].[P:50]([O:51][CH2:52][CH3:53])([O:54][CH2:55][CH3:56])[O:57][CH2:58][CH3:59].[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([OH:45])(=[O:46])=[O:47])[cH:48][cH:49]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[o:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][cH:16][c:17]3[Cl:18])[cH:7][cH:8]1)[P:50]([O:51][CH2:52][CH3:53])([O:54][CH2:55][CH3:56])=[O:57]