HRID1575608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8001

1,3-Dibromopropane

C3H6Br2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)n1nc(-c2cc3cc(O)ccc3n2C(=O)OC(C)(C)C)c2sccc21

HCID57637283

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1nc(-c2cc3cc(OCCCBr)ccc3n2C(=O)OC(C)(C)C)c2sccc21

HCID57637331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be4e640772ab423fa8053608e9277200
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:39][CH2:40][CH2:41][CH2:42][Br:43].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:18]2[c:19]3[c:20]([n:21]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[n:22]2)[cH:30][cH:31][s:32]3)[cH:10][c:11]2[cH:12][c:13]([OH:17])[cH:14][cH:15][c:16]12.[C:33](=[O:34])([O-:35])[O-:36].[Cs+:37].[Cs+:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:18]2[c:19]3[c:20]([n:21]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[n:22]2)[cH:30][cH:31][s:32]3)[cH:10][c:11]2[cH:12][c:13]([O:17][CH2:42][CH2:41][CH2:40][Br:39])[cH:14][cH:15][c:16]12