HRID816832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID639844

Methyl indole-6-carboxylate

C10H9NO2

结构：C=C(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

HCID10870342

未命名化合物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

HCID11175076

Methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate

C16H18BrNO2

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(Br)n(CC(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2c1

HCID68699898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc6f84f869a2457a9913297739abc068
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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