HRID2161741

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID57950612

6-(1H-Pyrazol-4-yl)isoquinoline

C12H9N3

结构：CC(C)(C)OC(=O)NC(CCOS(C)(=O)=O)Cc1ccc(Cl)cc1

HCID76673410

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CCn1cc(-c2ccc3cnccc3c2)cn1)Cc1ccc(Cl)cc1

HCID91607522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2495accd521b4a07858a108f0a0c5584
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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