HRID681292

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

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：c1ccc2c3c([nH]c2c1)C(c1ccc2c(c1)OCO2)NCC3

HCID201172

1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline

C18H16N2O2

HCID688281

5-[3-(Trifluoromethyl)phenyl]furan-2-carboxylic acid

C12H7F3O3

PRODUCTS

生成物

结构：O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2

HCID12020635

[1-(1,3-Benzodioxol-5-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl][5-[3-(trifluoromethyl)phenyl]-2-furanyl]methanone

C30H21F3N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca90b181bca4405a976de1cb5b430160
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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