HRID207460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6582

N-Methylacetamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

结构：COCOC(=O)c1cc2ccccc2cc1-c1ccccc1C(=O)O

HCID17809303

未命名化合物

结构：COCOC(=O)c1cc2ccccc2cc1OS(=O)(=O)C(F)(F)F

HCID22626196

未命名化合物

PRODUCTS

生成物

结构：COCOC(=O)c1cc2ccccc2cc1-c1ccccc1C(=O)OCc1ccccc1

HCID22626517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d68f659f2fbb4f5dbc3588ffa5f84c73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[C:9](=[O:10])([O-:11])[O-:12].[CH3:15][O:16][CH2:17][O:18][C:19](=[O:20])[c:21]1[c:22](-[c:31]2[c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37][cH:38][cH:39]2)[cH:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[cH:30]1.[CH3:64][NH:65][C:66]([CH3:67])=[O:68].[F:40][C:41]([F:42])([F:43])[S:44]([O:45][c:46]1[c:47]([C:48]([O:49][CH2:50][O:51][CH3:52])=[O:53])[cH:54][c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[cH:61]1)(=[O:62])=[O:63].[K+:13].[K+:14].[OH2:69]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:35][C:33]([c:32]1[c:31](-[c:22]2[c:21]([C:19]([O:18][CH2:17][O:16][CH3:15])=[O:20])[cH:30][c:29]3[c:24]([cH:23]2)[cH:25][cH:26][cH:27][cH:28]3)[cH:39][cH:38][cH:37][cH:36]1)=[O:34]