HRID159716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1390

1-Methylimidazole

C4H6N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CCC(CC)c1cc(C)nn2c(-c3sc(Br)cc3C)c(C)nc12

HCID57932943

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4nccn4C)cc3C)c(C)nc12

HCID57932954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9c28dc79c99405193e5e2bd0b34d254
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]([CH3:23])[c:5](-[c:7]2[c:8]([CH3:22])[n:9][c:10]3[n:11]2[n:12][c:13]([CH3:21])[cH:14][c:15]3[CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[s:6]1.[C:49](=[O:50])([O-:51])[O-:52].[CH3:24][n:25]1[cH:26][cH:27][n:28][cH:29]1.[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[Cs+:53].[Cs+:54].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[Pd+2:66].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:2]1(-[c:29]2[n:25]([CH3:24])[cH:26][cH:27][n:28]2)[cH:3][c:4]([CH3:23])[c:5](-[c:7]2[c:8]([CH3:22])[n:9][c:10]3[n:11]2[n:12][c:13]([CH3:21])[cH:14][c:15]3[CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])[s:6]1