HRID1209427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6342

Acetonitrile

C2H3N

HCID74126

Benzene, 1-(chloromethyl)-4-ethenyl-

C9H9Cl

结构：Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CCNC1

HCID18426165

未命名化合物

PRODUCTS

生成物

结构：C=Cc1ccc(CN2CCC(NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1

HCID18426162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab6a8ae7b40b4a7cbb7233a5b21bc84c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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