HRID177767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：COc1ccc(N2CCN(c3ccc(-n4cn[nH]c4=O)cc3)CC2)cc1

HCID4246597

2,4-Dihydro-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one

C19H21N5O2

HCID15035614

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCN(c3ccc(-n4cnn(CC(F)(F)F)c4=O)cc3)CC2)cc1

HCID15125491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f97316687a9b42e28803086dfa931ec2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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