HRID169299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID105144

Palladium(2+)

Pd+2

HCID66721475

未命名化合物

HCID68840907

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4ncnn4C)cc3Cl)c(C(F)(F)F)nc12

HCID57932911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f1444ee0a504c648e5a1b4b664e6168
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

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