HRID291890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID12004

2,4-Dibromoaniline

C6H5Br2N

HCID94429

Triphosgene

C3Cl6O3

HCID15516097

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccc(C#N)c(F)c2)C(C)CN1C(=O)Nc1ccc(Br)cc1Br

HCID18753319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84feb87984ed4fc792fa98c6881fa801
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([Br:9])[cH:8]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:22][CH:23]1[N:24]([c:30]2[cH:31][c:32]([F:38])[c:33]([C:34]#[N:35])[cH:36][cH:37]2)[CH2:25][CH:26]([CH3:29])[NH:27][CH2:28]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:10][C:11]([Cl:12])([O:13][C:14]([O:15][C:16]([Cl:17])([Cl:18])[Cl:19])=[O:20])[Cl:21]>>[Br:1][c:2]1[c:3]([NH:4][C:14](=[O:20])[N:27]2[CH:26]([CH3:29])[CH2:25][N:24]([c:30]3[cH:31][c:32]([F:38])[c:33]([C:34]#[N:35])[cH:36][cH:37]3)[CH:23]([CH3:22])[CH2:28]2)[cH:5][cH:6][c:7]([Br:9])[cH:8]1