HRID296384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID806421

1-cyclopentylpiperazine

C9H18N2

HCID18071365

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

C12H11NO4

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc2[nH]1

HCID68681051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-095f360376864a0bafd9ea41ba1e129d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[B-:18]([F:19])([F:20])([F:21])[F:22].[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.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH:40]1([N:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[CH2:41][CH2:42][CH2:43][CH2:44]1.[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[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:48]3[CH2:47][CH2:46][N:45]([CH:40]4[CH2:41][CH2:42][CH2:43][CH2:44]4)[CH2:50][CH2:49]3)[cH:12][c:13]2[cH:14]1