HRID1536949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID14928877

Butanoic acid, 4-bromo-2,2-dimethyl-, methyl ester

C7H13BrO2

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21

HCID21092910

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)CCOc1ccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cc3)CC2C)cc1

HCID68924209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bc927553bab43978ef3bcd79763d9d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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