HRID168281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID11218353

未命名化合物

HCID16037965

3-Fluoro-4-[(1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]aniline

C13H10FN3O

PRODUCTS

生成物

结构：Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(-c2ccc(F)cc2)n1

HCID58733245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01b5e5924f80471e9e8a3535b0e1e79c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:19][c:20]1[n:21][c:22]([NH2:33])[n:23][c:24](-[c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)[cH:25]1.[ClH:34].[F:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[O:9][c:10]1[c:11]2[c:12]([n:13][cH:14][cH:15]1)[nH:16][cH:17][cH:18]2.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:41]>>[F:1][c:2]1[cH:3][c:4]([NH:5][c:20]2[n:21][c:22]([NH2:33])[n:23][c:24](-[c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[cH:25]2)[cH:6][cH:7][c:8]1[O:9][c:10]1[c:11]2[c:12]([n:13][cH:14][cH:15]1)[nH:16][cH:17][cH:18]2