HRID123156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID67990

alpha,alpha,alpha-Trifluoro-m-tolualdehyde

C8H5F3O

结构：O=C(NC1CCC2CNCC21)C(C1CCCCC1)C1CCCCC1

HCID75150489

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCC2CN(Cc3cccc(C(F)(F)F)c3)CC21)C(C1CCCCC1)C1CCCCC1

HCID66590712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04671df062954b98b9f4531aed9e7ecc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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