HRID98742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID28486

Lithium ion

Li+

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccnn1C

HCID21867455

1-Methyl-5-(tributylstannyl)-1H-pyrazole

C16H32N2Sn

HCID22292790

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)C(F)(F)F)CCc2cc(-c3ccnn3C)ccc21

HCID22292810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c93603c2bb454b2c9ff62228102de918
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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