HRID305426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID91435

Lactate ion(1-)

C3H5O3-

结构：CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1OC(=O)CBr

HCID178435315

未命名化合物

PRODUCTS

生成物

结构：CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1OC(=O)COC(=O)C(C)O

HCID178435333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80d78276600b4bd1a0ec625801172e2e
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

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