HRID214665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2776438

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

C11H6F3NO3

HCID18008968

tert-Butyl 4-(4-aminophenyl)-1,4-diazepane-1-carboxylate

C16H25N3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)CC1

HCID59185678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84189b35a9704d42a1e3455923e35415
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:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][N:35]([c:39]2[cH:40][cH:41][c:42]([NH2:45])[cH:43][cH:44]2)[CH2:36][CH2:37][CH2:38]1.[CH2:53]([Cl:54])[Cl:55].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:19][C:20]([C:21]([Cl:22])=[O:23])=[O:24].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[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>>[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:45][c:42]3[cH:41][cH:40][c:39]([N:35]4[CH2:34][CH2:33][N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:38][CH2:37][CH2:36]4)[cH:44][cH:43]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1