HRID1216966

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

HCID101412

5-Fluoroanthranilic acid

C7H6FNO2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID288560

5-Fluoroisatoic anhydride

C8H4FNO3

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

HCID2773791

2-Chloro-4-iodo-5-(trifluoromethyl)pyridine

C6H2ClF3IN

HCID56951660

未命名化合物

PRODUCTS

生成物

结构：CONC(=O)c1cc(F)ccc1Nc1cc(Cl)ncc1C(F)(F)F

HCID87259808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fb577683de74be5b9b2f9a8bee00ca8
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:92](=[O:93])([O-:94])[O-:95].[CH3:50][C:51]1([CH3:52])[c:53]2[cH:54][cH:55][cH:56][c:57]([P:58]([c:59]3[cH:60][cH:61][cH:62][cH:63][cH:64]3)[c:65]3[cH:66][cH:67][cH:68][cH:69][cH:70]3)[c:71]2[O:72][c:73]2[c:74]1[cH:75][cH:76][cH:77][c:78]2[P:79]([c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Cl:38][c:39]1[n:40][cH:41][c:42]([C:46]([F:47])([F:48])[F:49])[c:43]([I:45])[cH:44]1.[Cs+:96].[Cs+:97].[F:12][c:13]1[cH:14][cH:15][c:16]2[nH:17][c:18](=[O:19])[o:20][c:21](=[O:22])[c:23]2[cH:24]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([F:6])[cH:7][c:8]1[C:9]([OH:10])=[O:11].[NH2:25][c:26]1[c:27]([C:28](=[O:29])[NH:30][O:31][CH3:32])[cH:33][c:34]([F:37])[cH:35][cH:36]1.[O-:103][C:104]([CH3:105])=[O:106].[O-:99][C:100]([CH3:101])=[O:102].[O:107]1[CH2:108][CH2:109][O:110][CH2:111][CH2:112]1.[Pd+2:98]>>[NH:25]([c:26]1[c:27]([C:28](=[O:29])[NH:30][O:31][CH3:32])[cH:33][c:34]([F:37])[cH:35][cH:36]1)[c:43]1[c:42]([C:46]([F:47])([F:48])[F:49])[cH:41][n:40][c:39]([Cl:38])[cH:44]1