HRID1238721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

HCID15548169

Spiro[isoindole-1,4'-piperidin]-3(2H)-one

C12H14N2O

HCID18453235

6-Chloro-1H-indole-3-carboxylic acid

C9H6ClNO2

PRODUCTS

生成物

结构：O=C1NC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21

HCID59657503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24c9ef03ab6a4abaa6c8dd89e6648a43
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

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