HRID1569876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID20026

(+/-)-3-Chloro-2-butanone

C4H7ClO

结构：COc1ccc(N2CCN(c3ccc(N4C(=O)NC(C)(C)C4=O)cc3)CC2)cc1

HCID21281918

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCN(c3ccc(N4C(=O)N(C(C)C(C)=O)C(C)(C)C4=O)cc3)CC2)cc1

HCID21281909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc25fb303c9f4d30893f4476c6cce90c
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

[C:36](=[O:37])([O-:38])[O-:39].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][cH:17][c:18]([N:21]4[C:22](=[O:29])[NH:23][C:24]([CH3:27])([CH3:28])[C:25]4=[O:26])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cl:30][CH:31]([C:32]([CH3:33])=[O:34])[CH3:35].[K+:40].[K+:41].[OH2:47]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][cH:17][c:18]([N:21]4[C:22](=[O:29])[N:23]([CH:31]([C:32]([CH3:33])=[O:34])[CH3:35])[C:24]([CH3:27])([CH3:28])[C:25]4=[O:26])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1