HRID954110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID14387745

5-Bromo-2-phenylpyrimidine

C10H7BrN2

HCID16744294

tert-Butyl 1,3-thiazole-4-carboxylate

C8H11NO2S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1csc(-c2cnc(-c3ccccc3)nc2)n1

HCID59252449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-079a0534371f49aca81ddc55f452bc11
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:61][c:62]1[cH:63][n:64][c:65](-[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[n:66][cH:67]1.[C:1](=[O:2])([O-:3])[O-:4].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[c:14]1[n:15][cH:16][s:17][cH:18]1.[Cs+:5].[Cs+:6].[O-:80][C:81]([CH3:82])=[O:83].[O-:84][C:85]([CH3:86])=[O:87].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[Pd+2:79].[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[c:28]3[c:52]([cH:53][cH:54][cH:55]2)[C:49]([CH3:50])([CH3:51])[c:31]2[c:30]([c:35]([P:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[cH:34][cH:33][cH:32]2)[O:29]3)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[c:14]1[n:15][c:16](-[c:62]2[cH:63][n:64][c:65](-[c:68]3[cH:69][cH:70][cH:71][cH:72][cH:73]3)[n:66][cH:67]2)[s:17][cH:18]1