HRID146515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8027

Pyrrole

C4H5N

HCID19660

Carbonate

CO3-2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID104967

Cesium(1+)

Cs+

2 次

HCID23136270

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(OCc2cccc(-n3cccc3)c2)cc1

HCID23159856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d09be70eec7417a8c9c7a0a1671faeb
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:1][c:2]1[cH:3][c:4]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][CH2:17][C:18](=[O:19])[O:20][CH3:21])[cH:14][cH:15]2)[cH:5][cH:6][cH:7]1.[C:27]([P:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[C:33]([CH3:34])([CH3:35])[CH3:36])([CH3:37])([CH3:38])[CH3:39].[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cs+:44].[Cs+:45].[OH2:53].[nH:22]1[cH:23][cH:24][cH:25][cH:26]1>>[c:2]1(-[n:22]2[cH:23][cH:24][cH:25][cH:26]2)[cH:3][c:4]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][CH2:17][C:18](=[O:19])[O:20][CH3:21])[cH:14][cH:15]2)[cH:5][cH:6][cH:7]1