HRID88517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID798

Indole

C8H7N

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

2 次

HCID166653

Hydride

H-

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCC(=O)Nc1ccccc1-3

HCID68699073

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCC(=O)N(CCN(C)C)c1ccccc1-3

HCID68699389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a093563e21d462aa16ddaa6c878b5cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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