HRID2144038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7503

Benzyl chloride

C7H7Cl

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID58181284

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2nc(C#CCc3ccccc3)cs2)CC1

HCID67156862

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18210fd2288341749da0934f7f303ea8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:43](=[O:44])([O-:45])[O-:46].[C:49](#[CH:50])[c:51]1[n:52][c:53]([CH:56]2[CH2:57][CH2:58][N:59]([C:62](=[O:63])[O:64][C:65]([CH3:66])([CH3:67])[CH3:68])[CH2:60][CH2:61]2)[s:54][cH:55]1.[CH:9]1([P:10]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2-[c:23]2[c:24]([CH:25]([CH3:26])[CH3:27])[cH:28][c:29]([CH:30]([CH3:31])[CH3:32])[cH:33][c:34]2[CH:35]([CH3:36])[CH3:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[Cl:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[Cs+:47].[Cs+:48].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C:50]#[C:49][c:51]1[n:52][c:53]([CH:56]2[CH2:57][CH2:58][N:59]([C:62](=[O:63])[O:64][C:65]([CH3:66])([CH3:67])[CH3:68])[CH2:60][CH2:61]2)[s:54][cH:55]1