HRID1206192

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

HCID68958

4-Aminopyrimidine

C4H5N3

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

HCID59624671

6,8-Dichloro-N-(pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C12H7Cl2N5O

PRODUCTS

生成物

结构：O=C(Nc1ccncc1)c1cnc2c(Nc3ccncn3)cc(Cl)nn12

HCID59624498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f4d2887f9884c5194eb92bfccfe7d0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:70](=[O:71])([O-:72])[O-:73].[CH3:28][C:29]1([CH3:30])[c:31]2[cH:32][cH:33][cH:34][c:35]([P:36]([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[c:49]2[O:50][c:51]2[c:52]1[cH:53][cH:54][cH:55][c:56]2[P:57]([c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[Cl:8][c:9]1[cH:10][c:11]([Cl:27])[c:12]2[n:13]([n:14]1)[c:15]([C:18](=[O:19])[NH:20][c:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1)[cH:16][n:17]2.[Cs+:74].[Cs+:75].[NH2:1][c:2]1[cH:3][cH:4][n:5][cH:6][n:7]1.[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:120]=[C:121]([CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1)[CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[O:76]1[CH2:77][CH2:78][O:79][CH2:80][CH2:81]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:82].[Pd:83]>>[NH:1]([c:2]1[cH:3][cH:4][n:5][cH:6][n:7]1)[c:11]1[cH:10][c:9]([Cl:8])[n:14][n:13]2[c:12]1[n:17][cH:16][c:15]2[C:18](=[O:19])[NH:20][c:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1