HRID99193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7892

2-Methylpentane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：O=c1[nH]c2nccnc2c(O)c1-c1c(F)ccc(F)c1Cl

HCID57998824

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Oc1c(-c2c(F)ccc(F)c2Cl)c(=O)[nH]c2nccnc12

HCID57998843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46bfdb8701fb4723b74d30b8e3c379be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:22][C:23]([C:24](=[O:25])[Cl:26])([CH3:27])[CH3:28].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:45][CH2:46][CH2:47][CH:48]([CH3:49])[CH3:50].[Cl:1][c:2]1[c:3](-[c:10]2[c:11]([OH:21])[c:12]3[c:13]([n:14][cH:15][cH:16][n:17]3)[nH:18][c:19]2=[O:20])[c:4]([F:9])[cH:5][cH:6][c:7]1[F:8].[Cl:35][CH2:36][Cl:37].[OH2:44].[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1>>[Cl:1][c:2]1[c:3](-[c:10]2[c:11]([O:21][C:24]([C:23]([CH3:22])([CH3:27])[CH3:28])=[O:25])[c:12]3[c:13]([n:14][cH:15][cH:16][n:17]3)[nH:18][c:19]2=[O:20])[c:4]([F:9])[cH:5][cH:6][c:7]1[F:8]