HRID2322063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID311

Citric Acid

C6H8O7

HCID1140

Toluene

C7H8

HCID11978

5-Methylindole

C9H9N

结构：Cc1ccc2c(c1)c(C1=C(Br)C(=O)N(C)C1=O)cn2C

HCID18505444

未命名化合物

HCID178461628

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2[nH]cc(C3=C(c4cn(C)c5ccc(C)cc45)C(=O)N(C)C3=O)c2c1

HCID18505445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02c1b51f25344706a55a22c84de03c82
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-:11].[Br:15][C:16]1=[C:21]([c:22]2[cH:23][n:24]([CH3:32])[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][c:30]23)[C:20](=[O:33])[N:19]([CH3:34])[C:17]1=[O:18].[CH2:12]([Mg+:13])[CH3:14].[CH3:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8]2[cH:9][cH:10]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[OH:35][C:36]([CH2:37][C:38]([C:39](=[O:40])[OH:41])([CH2:42][C:43](=[O:44])[OH:45])[OH:46])=[O:47]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([C:16]3=[C:21]([c:22]4[cH:23][n:24]([CH3:32])[c:25]5[cH:26][cH:27][c:28]([CH3:31])[cH:29][c:30]45)[C:20](=[O:33])[N:19]([CH3:34])[C:17]3=[O:18])[cH:6][nH:7][c:8]2[cH:9][cH:10]1