HRID1122068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2776438

2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid

C11H6F3NO3

HCID59464319

1,1-Dimethylethyl 4-(5-amino-2-pyrimidinyl)-1-piperazinecarboxylate

C13H21N5O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)CC1

HCID66738445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-753d99991a764a49b368579b3906b558
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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