HRID1219039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CCNCC1

HCID57979867

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CCN(C(C)=O)CC1

HCID57979821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95c70b5291bd4eaca6405ce403359c27
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

[CH3:1][C:2]([Cl:3])=[O:4].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:46][CH2:47][Cl:48].[Cl:6][c:7]1[c:8]([F:38])[c:9]([NH:13][c:14]2[n:15][cH:16][n:17][c:18]3[cH:19][c:20]([O:36][CH3:37])[c:21]([CH2:24][N:25]([C:26]4([C:32](=[O:33])[NH2:34])[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]4)[CH3:35])[cH:22][c:23]23)[cH:10][cH:11][cH:12]1.[ClH:5]>>[CH3:1][C:2](=[O:4])[N:29]1[CH2:28][CH2:27][C:26]([N:25]([CH2:24][c:21]2[c:20]([O:36][CH3:37])[cH:19][c:18]3[n:17][cH:16][n:15][c:14]([NH:13][c:9]4[c:8]([F:38])[c:7]([Cl:6])[cH:12][cH:11][cH:10]4)[c:23]3[cH:22]2)[CH3:35])([C:32](=[O:33])[NH2:34])[CH2:31][CH2:30]1