HRID111512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8078

Cyclohexane

C6H12

HCID8857

Ethyl acetate

C4H8O2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID28123

Tetrahydroborate

H4B-

HCID522516

Diethylmethoxyborane

C5H13BO

结构：CCOC(=O)CC(=O)CC(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

HCID53394928

未命名化合物

PRODUCTS

生成物

HCID53394957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5c3a14c32eb453881307e6ce5e4bfac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[BH4-:1].[C:43](=[O:44])([OH:45])[O-:46].[CH2:10]([CH3:11])[O:12][C:13]([CH2:14][C:15]([CH2:16][CH:17]([CH:18]=[CH:19][c:20]1[c:21]([CH:37]2[CH2:38][CH2:39]2)[n:22][c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[c:29]1-[c:30]1[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]1)[OH:40])=[O:41])=[O:42].[CH2:3]([B:4]([CH2:5][CH3:6])[O:7][CH3:8])[CH3:9].[CH2:61]1[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[CH3:53][OH:54].[CH3:55][O:56][C:57]([CH3:58])([CH3:59])[CH3:60].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Na+:2].[Na+:47].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[CH2:10]([CH3:11])[O:12][C:13]([CH2:14][CH:15]([CH2:16][CH:17]([CH:18]=[CH:19][c:20]1[c:21]([CH:37]2[CH2:38][CH2:39]2)[n:22][c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[c:29]1-[c:30]1[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]1)[OH:40])[OH:41])=[O:42]