HRID85836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2795489

Methyl 5-bromo-4-methyl-2-thiophenecarboxylate

C7H7BrO2S

HCID57709170

未命名化合物

PRODUCTS

产物

HCID57443485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cd25f6db3d5c4fa6878437e3dd781f2e
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

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