HRID1569860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID1176

Urea

CH4N2O

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID104748

Sulfurous acid, ion(1-)

HO3S-

HCID3681305

Hydrogen phosphate

HO4P-2

结构：CCOC(=O)c1ncc(OC)c2c1CCN(Cc1ccc(F)c(Cl)c1)C2=O

HCID59455605

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nc(OC(C)=O)c(OC)c2c1CCN(Cc1ccc(F)c(Cl)c1)C2=O

HCID59455606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04ea5df67bd3479d892c175915cead07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:46][C:47](=[O:48])[O:49][C:50](=[O:51])[CH3:52].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[C:7](=[O:23])[c:8]3[c:9]([O:21][CH3:22])[cH:10][n:11][c:12]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:13]3[CH2:14][CH2:15]2)[cH:24][cH:25][c:26]1[F:27].[Cl:53][CH2:54][Cl:55].[F:56][C:57]([F:58])([F:59])[C:60]([O:61][C:62](=[O:63])[C:64]([F:65])([F:66])[F:67])=[O:68].[K+:39].[K+:40].[NH2:30][C:31]([NH2:32])=[O:33].[Na+:45].[OH:28][OH:29].[P:34]([O-:35])([O-:36])([OH:37])=[O:38].[S:41](=[O:42])([OH:43])[O-:44]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[C:7](=[O:23])[c:8]3[c:9]([O:21][CH3:22])[c:10]([O:49][C:47]([CH3:46])=[O:48])[n:11][c:12]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:13]3[CH2:14][CH2:15]2)[cH:24][cH:25][c:26]1[F:27]