HRID291777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID2773289

6-bromo-2,3-dihydro-1H-indol-2-one

C8H6BrNO

HCID4594378

bis(cyclohexylmethyl)amine

C14H27N

结构：C=Cc1ccc(C(=O)OC(C)(C)C)c(NC(=O)c2ccccc2)c1

HCID67343635

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(C=Cc2ccc3c(c2)NC(=O)C3)cc1NC(=O)c1ccccc1

HCID67343578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b125d5a94e649e29ba1e818b706f38b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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