HRID950328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID54679224

Gimeracil

C5H4ClNO2

HCID57708429

未命名化合物

PRODUCTS

生成物

结构：O=c1cc(OC2CCN(c3ncc(C(F)(F)F)cn3)CC2)c(Cl)c[nH]1

HCID58467950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b00e32d050c4a328cf1c7f0128e02b5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:32][c:33]1[c:34]([OH:40])[cH:35][c:36](=[O:39])[nH:37][cH:38]1.[F:41][C:42]([c:43]1[cH:44][n:45][c:46]([N:49]2[CH2:50][CH2:51][CH:52]([OH:55])[CH2:53][CH2:54]2)[n:47][cH:48]1)([F:56])[F:57].[N:20]([C:21]([O:22][CH2:23][CH3:24])=[O:25])=[N:26][C:27]([O:28][CH2:29][CH3:30])=[O:31].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[Cl:32][c:33]1[c:34]([O:40][CH:52]2[CH2:51][CH2:50][N:49]([c:46]3[n:45][cH:44][c:43]([C:42]([F:41])([F:56])[F:57])[cH:48][n:47]3)[CH2:54][CH2:53]2)[cH:35][c:36](=[O:39])[nH:37][cH:38]1