HRID159724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID4653

p-Fluorophenethylamine

C8H10FN

HCID6228

N,N-Dimethylformamide

C3H7NO

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

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C(=O)NCCc2ccc(F)cc2)c(Cl)c1

HCID69342647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a0501c12183482caa6a13bf8929202b
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:64]([O-:65])(=[O:66])[CH3:67].[C:69]([O-:70])(=[O:71])[CH3:72].[F:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][CH2:28][NH2:29])[cH:25][cH:26]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[P:30]([CH2:31][CH2:32][CH2:33][P:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)([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.[Pd+2:68]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([Cl:19])[c:8]([C:60]([NH:29][CH2:28][CH2:27][c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)=[O:59])[cH:9][cH:10]1