HRID2154515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID2776438

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

C11H6F3NO3

结构：CC(C)(C)OC(=O)COC1CN(c2ccc([N+](=O)[O-])cn2)C1

HCID52937265

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COC1CN(c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)C1

HCID52937266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc72656919c74d8282e672a183a6d669
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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