HRID1115460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID166653

Hydride

H-

结构：COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCc2ccc(O)cc2)cc1

HCID22033389

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCc2ccc(OCC(=O)OC(C)(C)C)cc2)cc1

HCID22033012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-406cc6a2b35942d585686a62943ded65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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