HRID169138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID236603

Bromodiphenylmethane

C13H11Br

HCID252137

5-Bromoindole-2-carboxylic acid

C9H6BrNO2

PRODUCTS

生成物

结构：O=C(O)c1cc2cc(Br)ccc2n1C(c1ccccc1)c1ccccc1

HCID22988239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0010df20e1824fba9ab878617a31d123
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][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[OH:13])[nH:7][c:8]2[cH:9][cH:10]1.[Br:23][CH:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH2:45]([N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[I-:44]>>[Br:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[OH:13])[n:7]([CH:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:8]2[cH:9][cH:10]1