HRID189823

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID10828872

tert-Butyl 3-(bromomethyl)-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

C12H14BrN3O2

结构：O=c1[nH]ccc(C(F)(F)F)c1Oc1cc(Cl)cc(Cl)c1

HCID59529770

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1nc(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(Cl)c3)c2=O)c2cccnc21

HCID68513204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6040a8fe96bc4d64aa2f8aa6c09c0744
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:27][CH2:28][c:29]1[n:30][n:31]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]12.[C:21](=[O:22])([O-:23])[O-:24].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7](=[O:16])[nH:8][cH:9][cH:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:17][c:18]([Cl:20])[cH:19]1.[K+:25].[K+:26]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7](=[O:16])[n:8]([CH2:28][c:29]3[n:30][n:31]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[c:32]4[n:33][cH:34][cH:35][cH:36][c:37]34)[cH:9][cH:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:17][c:18]([Cl:20])[cH:19]1