HRID1536418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：FC(F)(F)c1cc(Br)c(OCc2ccccc2)c(OCc2ccccc2)c1

HCID59643024

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)c1cc(C(F)(F)F)cc(OCc2ccccc2)c1OCc1ccccc1

HCID59642996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9967fbc1fbd94765acbc152c730c56e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:11]([Br:19])[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:28][CH2:29][CH2:30][CH2:31][Li:32].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:33][C:34](=[O:35])[O:36][CH3:37].[OH2:38]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:11]([C:34](=[O:35])[O:36][CH3:37])[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1