HRID1560183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15413

Methyl tert-butyl ether

C5H12O

结构：Fc1cc(OC(F)(F)c2c(F)cc(Br)cc2F)cc(F)c1C(F)(F)F

HCID58444567

未命名化合物

结构：CCC1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)OC1

HCID58444590

未命名化合物

PRODUCTS

生成物

结构：CCC1CCC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)OC1

HCID58444571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20aecc4468874e3a9814008f61f9218c
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

[Br:25][c:26]1[cH:27][c:28]([F:49])[c:29]([C:33]([O:34][c:35]2[cH:36][c:37]([F:46])[c:38]([C:42]([F:43])([F:44])[F:45])[c:39]([F:41])[cH:40]2)([F:47])[F:48])[c:30]([F:32])[cH:31]1.[C:57](=[O:58])([O-:59])[OH:60].[C:68]([O:69][CH3:70])([CH3:71])([CH3:72])[CH3:73].[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH2:5][CH:6]([c:9]2[cH:10][c:11]([F:24])[c:12]([B:15]3[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]3)[cH:13][cH:14]2)[O:7][CH2:8]1.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[K+:61].[OH2:67]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH2:5][CH:6]([c:9]2[cH:10][c:11]([F:24])[c:12](-[c:26]3[cH:27][c:28]([F:49])[c:29]([C:33]([O:34][c:35]4[cH:36][c:37]([F:46])[c:38]([C:42]([F:43])([F:44])[F:45])[c:39]([F:41])[cH:40]4)([F:47])[F:48])[c:30]([F:32])[cH:31]3)[cH:13][cH:14]2)[O:7][CH2:8]1