HRID169218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID81219

Phosphine, 1,3-propanediylbis[diphenyl-

C27H26P2

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1

HCID17859607

未命名化合物

HCID22292844

2-[3-(Trifluoromethoxy)phenyl]ethan-1-amine

C9H10F3NO

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C(=O)NCCc2cccc(OC(F)(F)F)c2)c(Cl)c1

HCID69513492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-750d2910b470441b9943192567b39d00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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