HRID2321603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID69861

4-tert-Butylaniline

C10H15N

HCID21904722

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3C(F)(F)F)CC2)cc1

HCID11407011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccd1c1b77a8a4787bacd4089f3460dce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:31]([CH3:32])([CH3:33])([CH3:34])[c:35]1[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][N:53]([c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1)[CH3:60].[Cl:42][CH2:43][Cl:44].[F:1][C:2]([c:3]1[c:4]([N:9]2[CH2:10][CH2:11][C:12]([C:15](=[O:16])[OH:17])=[CH:13][CH2:14]2)[n:5][cH:6][cH:7][cH:8]1)([F:18])[F:19].[O:20]=[CH:21][N:22]([CH3:23])[CH3:24].[OH2:61].[cH:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1>>[F:1][C:2]([c:3]1[c:4]([N:9]2[CH2:10][CH2:11][C:12]([C:15](=[O:17])[NH:39][c:38]3[cH:37][cH:36][c:35]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:41][cH:40]3)=[CH:13][CH2:14]2)[n:5][cH:6][cH:7][cH:8]1)([F:18])[F:19]