HRID1231821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)c1ccccc1-c1ccc(CBr)cc1F

HCID59283905

未命名化合物

HCID178458929

未命名化合物

PRODUCTS

生成物

结构：CCCOc1nc(Br)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)c(F)c1

HCID59283904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae0440af08f7444e9e11e00fc020a7c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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