HRID1231232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID11379620

ETHYL 5-ACETOXYINDOLE-2-CARBOXYLATE

C13H13NO4

HCID15689547

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(OC(C)=O)ccc2n1Cc1ccc(Cl)c(I)c1

HCID22259365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-855bf8c660a34dddac3b27d647ee0d93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:3]([CH3:4])(=[O:5])[O:6][c:7]1[cH:8][c:9]2[cH:10][c:11]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[nH:12][c:13]2[cH:14][cH:15]1.[CH2:32]([N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH3:48].[Cl-:54].[Cl:21][c:22]1[c:23]([I:30])[cH:24][c:25]([CH2:26][Br:27])[cH:28][cH:29]1.[H-:1].[I-:31].[NH4+:55].[Na+:2].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[C:3]([CH3:4])(=[O:5])[O:6][c:7]1[cH:8][c:9]2[cH:10][c:11]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:12]([CH2:26][c:25]3[cH:24][c:23]([I:30])[c:22]([Cl:21])[cH:29][cH:28]3)[c:13]2[cH:14][cH:15]1