HRID1536327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID18700087

4-Bromo-2-(trifluoromethoxy)benzaldehyde

C8H4BrF3O2

HCID59818433

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

HCID44390385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b18550b370a4093af6852bd5de591fd
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

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