HRID1119234

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

HCID118388

4-Bromobutan-1-ol

C4H9BrO

结构：CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(O)cc23)C1(C)C

HCID11530502

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCO)cc23)C1(C)C

HCID11683348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16ab5c7f8f96420d8657655eabbeaeb5
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

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