HRID143078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID10655739

1-Methylspiro[indoline-3,4'-piperidine]

C13H18N2

结构：CC#CC(CC(=O)OCC)c1ccc(OCc2ccc(CBr)cc2)cc1

HCID67087307

未命名化合物

PRODUCTS

生成物

结构：CC#CC(CC(=O)OCC)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1

HCID178445473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c6725b9e07d40c19e87b8f75e66c85e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][O:23][c:24]2[cH:25][cH:26][c:27]([CH:30]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[C:37]#[C:38][CH3:39])[cH:28][cH:29]2)[cH:40][cH:41]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:1][N:2]1[CH2:3][C:4]2([c:5]3[cH:6][cH:7][cH:8][cH:9][c:10]31)[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2.[Cs+:46].[Cs+:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[CH3:1][N:2]1[CH2:3][C:4]2([c:5]3[cH:6][cH:7][cH:8][cH:9][c:10]31)[CH2:11][CH2:12][N:13]([CH2:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][O:23][c:24]3[cH:25][cH:26][c:27]([CH:30]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[C:37]#[C:38][CH3:39])[cH:28][cH:29]3)[cH:40][cH:41]1)[CH2:14][CH2:15]2