HRID1544433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID6356

Boron trifluoride

BF3

HCID12052

Silane, triethyl-

C6H16Si

反应SMILES：CCCC1CCC(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)C(O)O2)CC1

HCID58535652

未命名化合物

PRODUCTS

产物

反应SMILES：CCCC1CCC(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CO2)CC1

HCID58535290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-999cb8320cb44d48ad15dc7182b86532
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

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