HRID2310760

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

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID22644

未命名化合物

HCID11336403

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CN(CCCCCCCC(=O)NOCc1ccccc1)C(C)C2

HCID86591426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b25d5932d424549973d2687cf9fce2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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