HRID1550890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID3283

Diethyl Ether

C4H10O

HCID5975

Cyanide

CN-

HCID8058

n-Hexane

C6H14

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23978

Copper

结构：CC(=O)Nc1cc2c(cc1Br)C(Nc1ccc(C(=O)OC(C)(C)C)c(F)c1)CC2

HCID58915010

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc2c(cc1C#N)C(Nc1ccc(C(=O)OC(C)(C)C)c(F)c1)CC2

HCID67363698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7451a3dab3204714ad942707a6d1db36
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C-:30]#[N:31].[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]2[c:11]([cH:12][c:13]1[Br:14])[CH:10]([NH:15][c:16]1[cH:17][c:18]([F:29])[c:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:27][cH:28]1)[CH2:9][CH2:8]2.[CH2:39]([O:40][CH2:41][CH3:42])[CH3:43].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[Cu:51].[NH3:32]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]2[c:11]([cH:12][c:13]1[C:30]#[N:31])[CH:10]([NH:15][c:16]1[cH:17][c:18]([F:29])[c:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:27][cH:28]1)[CH2:9][CH2:8]2