HRID178119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID4589692

3-Methylisoxazole-4-carboxylic acid

C5H5NO3

HCID67367524

未命名化合物

PRODUCTS

产物

HCID53373300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b53a2f743a894c1fa3f203139fbd400c
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

[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([C:25]23[N:26]([C:27](=[O:36])[c:28]4[n:29]([c:31]([C:34]#[N:35])[cH:32][cH:33]4)[CH2:30]2)[CH2:37][CH2:38][NH:39]3)[cH:23][cH:24]1.[CH3:8][c:9]1[n:10][o:11][cH:12][c:13]1[C:14](=[O:15])[OH:16].[Cl-:1].[Cl:2][C:3]([C:4]([Cl:5])=[O:6])=[O:7].[Cl:40][CH2:41][Cl:42].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:49].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[CH3:8][c:9]1[n:10][o:11][cH:12][c:13]1[C:14](=[O:16])[N:39]1[C:25]2([c:22]3[cH:21][cH:20][c:19]([O:18][CH3:17])[cH:24][cH:23]3)[N:26]([C:27](=[O:36])[c:28]3[n:29]([c:31]([C:34]#[N:35])[cH:32][cH:33]3)[CH2:30]2)[CH2:37][CH2:38]1