HRID293220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8125

1-Octene

C8H16

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID67247845

未命名化合物

HCID178443689

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCc1ccc2c(CO)cn(C(=O)OC(C)(C)C)c2c1

HCID67247774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-128d5b593b6440cf873d88c193d2b851
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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