HRID666342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID138387

4-Hydroxy-3,5-dimethylbenzoic acid

C9H10O3

结构：NC1CC(=O)c2ccccc2N(CC(=O)OCc2ccccc2)C1=O

HCID178507929

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)NC2CC(=O)c3ccccc3N(CC(=O)OCc3ccccc3)C2=O)cc(C)c1O

HCID18317224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48aa7b6804144ae4afaff6e1da9903ea
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

[CH2:49]([Cl:50])[CH2:51][Cl:52].[CH3:27][c:28]1[cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][c:35]([CH3:38])[c:36]1[OH:37].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[Cl:65][CH2:66][Cl:67].[ClH:1].[O:2]=[C:3]1[N:4]([CH2:16][C:17](=[O:18])[O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:5]2[c:6]([cH:12][cH:13][cH:14][cH:15]2)[C:7](=[O:11])[CH2:8][CH:9]1[NH2:10].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:39][n:40]1[c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[n:47][n:48]1>>[O:2]=[C:3]1[N:4]([CH2:16][C:17](=[O:18])[O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:5]2[c:6]([cH:12][cH:13][cH:14][cH:15]2)[C:7](=[O:11])[CH2:8][CH:9]1[NH:10][C:31]([c:30]1[cH:29][c:28]([CH3:27])[c:36]([OH:37])[c:35]([CH3:38])[cH:34]1)=[O:32]