HRID1574381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1833

5-Methoxy-1H-indole-3-ethanamine

C11H14N2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

2 次

HCID68925560

未命名化合物

PRODUCTS

生成物

结构：CCCC(Oc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NCCc1c[nH]c2ccc(OC)cc12

HCID57598548

2-(4-Cyano-3-trifluoromethyl-phenoxy)-pentanoic acid [2-(5-methoxy-1H-indol-3-yl)-ethyl]-amide

C24H24F3N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02d15789cb1a449386c850e478d8ba80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[c:4]([C:17]([F:18])([F:19])[F:20])[cH:5][c:6]([O:7][CH:8]([C:9](=[O:10])[OH:11])[CH2:12][CH2:13][CH3:14])[cH:15][cH:16]1.[CH3:41][N:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[CH3:49][O:50][c:51]1[cH:52][cH:53][c:54]2[nH:55][cH:56][c:57]([CH2:58][CH2:59][NH2:60])[c:61]2[cH:62]1.[ClH:48].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:21][n:22]1[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1.[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[C:1](#[N:2])[c:3]1[c:4]([C:17]([F:18])([F:19])[F:20])[cH:5][c:6]([O:7][CH:8]([C:9](=[O:11])[NH:60][CH2:59][CH2:58][c:57]2[cH:56][nH:55][c:54]3[cH:53][cH:52][c:51]([O:50][CH3:49])[cH:62][c:61]32)[CH2:12][CH2:13][CH3:14])[cH:15][cH:16]1