HRID153601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID78013

Piperazine, 1-isopropyl-

C7H16N2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID18071365

2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid

C12H11NO4

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(C(=O)N3CCN(C(C)C)CC3)ccc2[nH]1

HCID68534134

Ethyl 5-[[4-(1-methylethyl)-1-piperazinyl]carbonyl]-1H-indole-2-carboxylate

C19H25N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-928f082f03ae420b8fd70120051e87f6
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

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