HRID680753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID61345

3-Chloropivaloyl chloride

C5H8Cl2O

结构：CCOC(=O)c1cccc(NC(=O)NC2CNc3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)c1

HCID21201630

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)C(C)(C)CCl)c3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)c1

HCID21201564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e69604ad19b2441ebbfd8dd99cf5da8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:39][CH2:40][C:41]([C:42](=[O:43])[Cl:44])([CH3:45])[CH3:46].[Cl:59][CH2:60][CH2:61][Cl:62].[c:1]1([CH3:38])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:37])[CH:12]([NH:22][C:23](=[O:24])[NH:25][c:26]3[cH:27][c:28]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:29][cH:30][cH:31]3)[CH2:13][NH:14][c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[c:1]1([CH3:38])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:37])[CH:12]([NH:22][C:23](=[O:24])[NH:25][c:26]3[cH:27][c:28]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:29][cH:30][cH:31]3)[CH2:13][N:14]([C:42]([C:41]([CH2:40][Cl:39])([CH3:45])[CH3:46])=[O:43])[c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1