HRID139375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID8078

Cyclohexane

C6H12

HCID8857

Ethyl acetate

C4H8O2

HCID32051

Zinc (II) cation

Zn+2

结构：Cc1c(C(=O)NCc2ccc(F)cc2)c(C2CC2)nc2cc(Br)ccc12

HCID56848080

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)NCc2ccc(F)cc2)c(C2CC2)nc2cc(C#N)ccc12

HCID56848134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c5ce46ae0924bebb7a1a363b8bfdba1
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:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([CH3:26])[c:7]([C:15](=[O:16])[NH:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[c:8]([CH:12]3[CH2:13][CH2:14]3)[n:9][c:10]2[cH:11]1.[C-:52]#[N:53].[C-:55]#[N:56].[CH2:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][N:32]([CH3:33])[CH3:34].[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[Zn+2:54]>>[c:2]1([C:27]#[N:28])[cH:3][cH:4][c:5]2[c:6]([CH3:26])[c:7]([C:15](=[O:16])[NH:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[c:8]([CH:12]3[CH2:13][CH2:14]3)[n:9][c:10]2[cH:11]1