HRID203152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID520721

1,3-Dimethyl-1H-pyrazol-5-amine

C5H9N3

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

结构：CNC(=O)c1c(Nc2cc(Cl)ncc2C(F)(F)F)cccc1OC

HCID86655144

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(Nc2cc(Nc3cc(C)nn3C)ncc2C(F)(F)F)cccc1OC

HCID56951291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df2853f3dffe4620930323485ce49557
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:75](=[O:76])([O-:77])[O-:78].[CH3:25][n:26]1[n:27][c:28]([CH3:32])[cH:29][c:30]1[NH2:31].[CH3:33][C:34]1([CH3:35])[c:36]2[cH:37][cH:38][cH:39][c:40]([P:41]([c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]2[O:55][c:56]2[c:57]1[cH:58][cH:59][cH:60][c:61]2[P:62]([c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:21]([F:22])([F:23])[F:24])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[c:15]([O:19][CH3:20])[cH:16][cH:17][cH:18]2)[cH:7]1.[Cs+:79].[Cs+:80].[O-:88][C:89]([CH3:90])=[O:91].[O-:92][C:93]([CH3:94])=[O:95].[O:81]1[CH2:82][CH2:83][O:84][CH2:85][CH2:86]1.[Pd+2:87]>>[c:2]1([NH:31][c:30]2[n:26]([CH3:25])[n:27][c:28]([CH3:32])[cH:29]2)[n:3][cH:4][c:5]([C:21]([F:22])([F:23])[F:24])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[c:15]([O:19][CH3:20])[cH:16][cH:17][cH:18]2)[cH:7]1