HRID107671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23393

2-(Chloromethyl)pyridine

C6H6ClN

反应SMILES：Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(O)cc1

HCID66631169

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1

HCID11475107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8ba8dff7a6c44604be5a6370192bb281
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

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