HRID105362

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

HCID10868765

4-(Boc-amino)butyl bromide

C9H18BrNO2

结构：CCOC(=O)C(C(=O)OCC)c1cn(S(=O)(=O)c2ccc(C)cc2)cn1

HCID67443784

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCCCNC(=O)OC(C)(C)C)(C(=O)OCC)c1cn(S(=O)(=O)c2ccc(C)cc2)cn1

HCID67444839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adea8f781df74416bdf1bf13789b45ae
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:1](=[O:2])([O-:3])[O-:4].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][CH2:15][CH2:16][CH2:17][CH2:18][Br:19].[Cs+:5].[Cs+:6].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[c:20]1([CH3:45])[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[n:29]2[cH:30][n:31][c:32]([CH:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:33]2)[cH:24][cH:25]1>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][CH2:15][CH2:16][CH2:17][CH2:18][C:34]([c:32]1[n:31][cH:30][n:29]([S:26]([c:23]2[cH:22][cH:21][c:20]([CH3:45])[cH:25][cH:24]2)(=[O:27])=[O:28])[cH:33]1)([C:35](=[O:36])[O:37][CH2:38][CH3:39])[C:40](=[O:41])[O:42][CH2:43][CH3:44]