HRID153381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID66759194

未命名化合物

HCID66759772

未命名化合物

PRODUCTS

生成物

结构：C=Cc1c2c(c(C)c(C)c1N1CCN(c3ccc(OC)cc3)CC1)OC(C)(C)C2=O

HCID66760230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1196ea1c6af8429a9cf86281cb9e3588
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][N:4]([c:5]1[cH:6][cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]1)[CH2:13][CH2:14][Br:15].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[NH2:26][c:27]1[c:28]([CH3:42])[c:29]([CH3:41])[c:30]2[c:31]([c:38]1[CH:39]=[CH2:40])[C:32](=[O:37])[C:33]([CH3:35])([CH3:36])[O:34]2.[Na+:16].[O:21]=[CH:22][N:23]([CH3:24])[CH3:25].[OH2:49].[OH:17][C:18](=[O:19])[O-:20]>>[CH2:2]1[CH2:3][N:4]([c:5]2[cH:6][cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]2)[CH2:13][CH2:14][N:26]1[c:27]1[c:28]([CH3:42])[c:29]([CH3:41])[c:30]2[c:31]([c:38]1[CH:39]=[CH2:40])[C:32](=[O:37])[C:33]([CH3:35])([CH3:36])[O:34]2