HRID2150379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID67843

Ethyl chlorodifluoroacetate

C4H5ClF2O2

结构：CC(c1c(O)ccc(F)c1Cl)c1cn(C(=O)OC(C)(C)C)c2ncc(Br)cc12

HCID67004899

未命名化合物

PRODUCTS

生成物

结构：CC(c1c(OC(F)F)ccc(F)c1Cl)c1cn(C(=O)OC(C)(C)C)c2ncc(Br)cc12

HCID178437274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-941559c5a7c84dc89f6864edc7e42702
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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