HRID1153334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID2762809

2-Amino-3-fluoropyridine

C5H5FN2

HCID75464886

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccnc(Nc2ncccc2F)c1)c1c(Cl)cccc1Cl

HCID59618076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54fcfed4b27142f98fa5fde907db33b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[n:3][cH:4][cH:5][c:6]([NH:8][C:9]([c:10]2[c:11]([Cl:17])[cH:12][cH:13][cH:14][c:15]2[Cl:16])=[O:18])[cH:7]1.[C:27](=[O:28])([O-:29])[O-:30].[Cs+:31].[Cs+:32].[F:19][c:20]1[c:21]([NH2:26])[n:22][cH:23][cH:24][cH:25]1.[O:113]=[C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)[CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[O:131]1[CH2:132][CH2:133][O:134][CH2:135][CH2:136]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd:75].[Pd:76].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[c:42]3[c:66]([cH:67][cH:68][cH:69]2)[C:63]([CH3:64])([CH3:65])[c:45]2[c:44]([c:49]([P:50]([c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)[cH:48][cH:47][cH:46]2)[O:43]3)[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[c:2]1([NH:26][c:21]2[c:20]([F:19])[cH:25][cH:24][cH:23][n:22]2)[n:3][cH:4][cH:5][c:6]([NH:8][C:9]([c:10]2[c:11]([Cl:17])[cH:12][cH:13][cH:14][c:15]2[Cl:16])=[O:18])[cH:7]1