HRID1564412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2795359

4-Morpholinophenylboronic acid

C10H14BNO3

结构：CCOC(=O)c1nc(Br)c2sc(-c3ccccc3)nc2c1O

HCID86617357

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3ccccc3)nc2c1O

HCID68426385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a014d8c3804402691f33e42d3683d66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:38](=[O:39])([O-:40])[O-:41].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([OH:22])[c:8]2[c:9]([c:10]([Br:12])[n:11]1)[s:13][c:14](-[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[n:15]2.[Cs+:42].[Cs+:43].[O:23]1[CH2:24][CH2:25][N:26]([c:29]2[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]2)[CH2:27][CH2:28]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[Pd:50].[c:108]1([P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123][cH:124][cH:125][cH:126]1.[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([OH:22])[c:8]2[c:9]([c:10](-[c:32]3[cH:31][cH:30][c:29]([N:26]4[CH2:25][CH2:24][O:23][CH2:28][CH2:27]4)[cH:34][cH:33]3)[n:11]1)[s:13][c:14](-[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[n:15]2