HRID102718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID2733180

未命名化合物

HCID2776438

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

C11H6F3NO3

HCID59301435

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(C)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1

HCID59301335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f89c984066864645970c3cd23218004a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:38][P+:39]([N:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1)([N:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1)[N:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl:62][CH2:63][Cl:64].[NH2:19][c:20]1[cH:21][cH:22][c:23]([N:26]([C:27]([CH3:28])=[O:29])[CH3:30])[n:24][cH:25]1.[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[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:19][c:20]3[cH:21][cH:22][c:23]([N:26]([C:27]([CH3:28])=[O:29])[CH3:30])[n:24][cH:25]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1