HRID124343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2724519

3,4-Difluorobenzoyl chloride

C7H3ClF2O

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(N)c3ccccc3)CC2)c1

HCID22048665

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(NC(=O)c3ccc(F)c(F)c3)c3ccccc3)CC2)c1

HCID22049449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-204c020caec84d4eacca80fedaef4eda
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

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