HRID111421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12201

Diethyl 2-butenedioate

C8H12O4

HCID19660

Carbonate

CO3-2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID522885

6-Bromo-2-methylquinoline

C10H8BrN

PRODUCTS

生成物

结构：CCOC(=O)C=C(C(=O)OCC)c1ccc2nc(C)ccc2c1

HCID57856050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-877fe007c4f44ea89c024ebbc2ca47a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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