HRID308534

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

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

HCID56951658

未命名化合物

HCID56951659

2-Amino-N,6-dimethoxybenzamide

C9H12N2O3

PRODUCTS

生成物

结构：CONC(=O)c1c(Nc2cc(Nc3cn(C)nc3C)ncc2C(F)(F)F)cccc1OC

HCID56951430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fefca1bac88f4f12bfa694e22688f004
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:76](=[O:77])([O-:78])[O-:79].[CH3:1][C:2]1([CH3:3])[c:4]2[cH:5][cH:6][cH:7][c:8]([P:9]([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[O:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][c:29]2[P:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:57][n:58]1[n:59][c:60]([CH3:75])[c:61]([NH:63][c:64]2[n:65][cH:66][c:67]([C:71]([F:72])([F:73])[F:74])[c:68]([I:70])[cH:69]2)[cH:62]1.[Cs+:80].[Cs+:81].[NH2:43][c:44]1[c:45]([C:46](=[O:47])[NH:48][O:49][CH3:50])[c:51]([O:55][CH3:56])[cH:52][cH:53][cH:54]1.[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[O:91]1[CH2:92][CH2:93][O:94][CH2:95][CH2:96]1.[Pd+2:82]>>[NH:43]([c:44]1[c:45]([C:46](=[O:47])[NH:48][O:49][CH3:50])[c:51]([O:55][CH3:56])[cH:52][cH:53][cH:54]1)[c:68]1[c:67]([C:71]([F:72])([F:73])[F:74])[cH:66][n:65][c:64]([NH:63][c:61]2[c:60]([CH3:75])[n:59][n:58]([CH3:57])[cH:62]2)[cH:69]1