HRID186074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID61345

3-Chloropivaloyl chloride

C5H8Cl2O

结构：CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CNCc3ccc4ccccc4c3)cc1C2

HCID178481630

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN(Cc3ccc4ccccc4c3)C(=O)C(C)(C)CCl)cc1C2

HCID72331682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdc0faba46ff441fa10a31a7c3fe6c0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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