HRID1129649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)CC(NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O

HCID3564753

未命名化合物

结构：Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID10642851

tert-Butyl 4-{[(4-methylbenzene-1-sulfonyl)oxy]methyl}piperidine-1-carboxylate

C18H27NO5S

PRODUCTS

生成物

结构：CC(C)CC(C(N)=O)N(CC1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(Cl)cc1

HCID72486030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d1be2d8adb34aa886437d321f4ba33f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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