HRID152377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID2783390

3-[6-(trifluoromethyl)pyridin-3-yl]propanoic Acid

C9H8F3NO2

HCID22018930

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1

HCID9955588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f22ce6347f64ba4995346dc9ce59aae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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