HRID2312201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID14817

Phosphorus pentasulfide

P4S10

结构：Cc1nccn1-c1ccc(COc2cc(F)cc(C3(C(N)=O)CCOCC3)c2)cc1

HCID9931329

4-(3-Fluoro-5-{[4-(2-methyl-1H-imidazol-1-yl)benzyl]oxy}phenyl)tetrahydro-2H-pyran-4-carboxamide

C23H24FN3O3

PRODUCTS

生成物

结构：Cc1nccn1-c1ccc(COc2cc(F)cc(C3(C(N)=S)CCOCC3)c2)cc1

HCID18786376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb7d0e3ab21c477aa126b88846df432b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:45](=[O:46])([OH:47])[O-:48].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[F:1][c:2]1[cH:3][c:4]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22](-[n:25]3[c:26]([CH3:30])[n:27][cH:28][cH:29]3)[cH:23][cH:24]2)[cH:5][c:6]([C:8]2([C:14](=[O:15])[NH2:16])[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1.[Na+:49].[P:31]12(=[S:32])[S:33][P:34]3(=[S:44])[S:35][P:36](=[S:42])([S:37][P:38](=[S:41])([S:39]3)[S:40]1)[S:43]2>>[F:1][c:2]1[cH:3][c:4]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22](-[n:25]3[c:26]([CH3:30])[n:27][cH:28][cH:29]3)[cH:23][cH:24]2)[cH:5][c:6]([C:8]2([C:14]([NH2:16])=[S:32])[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1