HRID1567292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

HCID62908

Methyl 2-hydroxy-4-methylpentanoate

C7H14O3

结构：N=C(OC(c1ccc(F)cc1)c1ccc(Br)cc1)C(Cl)(Cl)Cl

HCID69472473

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(C)C)OC(c1ccc(F)cc1)c1ccc(Br)cc1

HCID178500343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baa31738d125475e9176a6d47976f762
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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