HRID115116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID11408176

未命名化合物

HCID53395245

未命名化合物

PRODUCTS

产物

HCID67316080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-da9f79f325224bbe8fb0e086dd64e044
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

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