HRID2147706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

结构：CC(C)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1

HCID16744767

(2,2-Dimethylpropane-1,3-diyl)bis(diphenylphosphane)

C29H30P2

HCID44249263

3',4',5'-Trifluoro[1,1'-biphenyl]-2-amine

C12H8F3N

HCID44249264

4-Bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole

C5H5BrF2N2

PRODUCTS

生成物

结构：Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(C(F)F)n1

HCID16095400

Fluxapyroxad

C18H12F5N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c49f445355bd4e90b468303360a1d0a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:61][c:62]1[c:63]([CH:68]([F:69])[F:70])[n:64][n:65]([CH3:67])[cH:66]1.[C:24]([O-:25])([O-:26])=[O:27].[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:30][C:31]([CH3:32])([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)[CH2:47][P:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:71][C:72]#[N:73].[F:1][c:2]1[cH:3][c:4](-[c:10]2[c:11]([NH2:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:5][c:6]([F:9])[c:7]1[F:8].[K+:28].[K+:29].[Pd:74]([Cl:75])[Cl:76]>>[F:1][c:2]1[cH:3][c:4](-[c:10]2[c:11]([NH:12][C:24](=[O:27])[c:62]3[c:63]([CH:68]([F:69])[F:70])[n:64][n:65]([CH3:67])[cH:66]3)[cH:13][cH:14][cH:15][cH:16]2)[cH:5][c:6]([F:9])[c:7]1[F:8]