HRID94777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID99873

2-Methylcyclopropane-1-carboxylic acid

C5H8O2

HCID136355285

未命名化合物

PRODUCTS

产物

HCID136399824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-df79feb6251b41b3bff11203f49226a3
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

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