HRID2349765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2724942

未命名化合物

HCID10636240

4-(4-Bromophenoxy)benzaldehyde

C13H9BrO2

HCID68489054

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CN(C)CC2CCCN2Cc2ccc(Oc3ccc(Br)cc3)cc2)cc1

HCID77505027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40924912d6f5497ab7206a6dd4310633
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

[Br:21][c:22]1[cH:23][cH:24][c:25]([O:26][c:27]2[cH:28][cH:29][c:30]([CH:31]=[O:32])[cH:33][cH:34]2)[cH:35][cH:36]1.[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[C:60](=[O:61])([OH:62])[O-:63].[CH3:2][N:3]([CH2:4][CH:5]1[NH:6][CH2:7][CH2:8][CH2:9]1)[CH2:10][c:11]1[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]1.[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[Cl:65][CH:66]([Cl:67])[CH3:68].[ClH:1].[Na+:59].[Na+:64]>>[CH3:2][N:3]([CH2:4][CH:5]1[N:6]([CH2:31][c:30]2[cH:29][cH:28][c:27]([O:26][c:25]3[cH:24][cH:23][c:22]([Br:21])[cH:36][cH:35]3)[cH:34][cH:33]2)[CH2:7][CH2:8][CH2:9]1)[CH2:10][c:11]1[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]1