HRID2139976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8003

Pentane

C5H12

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID31275

1,4-Dioxane

C4H8O2

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID2777076

4,4,4-Trifluoro-2-buten-1-ol

C4H5F3O

HCID178429419

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCC=CC(F)(F)F)nc(Oc2cc(C(F)(F)F)nn2C)c1

HCID54454718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9be6afc075324d43b6e4d13e51f54333
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:65]([O:66][CH2:67][CH3:68])(=[O:69])[CH3:70].[CH3:71][CH2:72][CH2:73][CH2:74][CH3:75].[F:20][C:21]([CH:22]=[CH:23][CH2:24][OH:25])([F:26])[F:27].[O:47]=[C:48]([O:49][CH2:50][CH3:51])[N:52]=[N:53][C:54]([O:55][CH2:56][CH3:57])=[O:58].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[OH:1][c:2]1[cH:3][c:4]([CH3:19])[cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[n:12][n:13]2[CH3:14])[n:7]1.[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[O:1]([c:2]1[cH:3][c:4]([CH3:19])[cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[n:12][n:13]2[CH3:14])[n:7]1)[CH2:24][CH:23]=[CH:22][C:21]([F:20])([F:26])[F:27]