HRID1567189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID95657

N-(Benzyloxycarbonyl)-DL-alanine

C11H13NO4

HCID2779074

2,2-dimethyl-2H-chromene-6-carbonitrile

C12H11NO

PRODUCTS

产物

反应SMILES：CC(NC(=O)OCc1ccccc1)C(=O)OC1c2cc(C#N)ccc2OC(C)(C)C1Br

HCID178465407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-625ba7fe7db0448484ecdc64e38f574b
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

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