HRID2335667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID44613878

1-(2-Chloropyrimidin-4-yl)ethan-1-one

C6H5ClN2O

结构：Cc1cc(N)cc(-c2cnc(C(C)(O)C(F)(F)F)s2)c1

HCID58456117

5-(3-Amino-5-methylphenyl)-α-methyl-α-(trifluoromethyl)-2-thiazolemethanol

C13H13F3N2OS

PRODUCTS

生成物

结构：CC(=O)c1ccnc(Nc2cc(C)cc(-c3cnc(C(C)(O)C(F)(F)F)s3)c2)n1

HCID58456354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7c5f7fdd2054ce1a40200e1a4660144
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:21](=[O:22])([O-:23])[O-:24].[Cl:27][c:28]1[n:29][cH:30][cH:31][c:32]([C:34]([CH3:35])=[O:36])[n:33]1.[Cs+:25].[Cs+:26].[NH2:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][n:11][c:12]([C:14]([C:15]([F:16])([F:17])[F:18])([CH3:19])[OH:20])[s:13]2)[cH:5][c:6]([CH3:8])[cH:7]1.[O-:38][C:39]([CH3:40])=[O:41].[O-:42][C:43]([CH3:44])=[O:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[Pd+2:37]>>[NH:1]([c:2]1[cH:3][c:4](-[c:9]2[cH:10][n:11][c:12]([C:14]([C:15]([F:16])([F:17])[F:18])([CH3:19])[OH:20])[s:13]2)[cH:5][c:6]([CH3:8])[cH:7]1)[c:28]1[n:29][cH:30][cH:31][c:32]([C:34]([CH3:35])=[O:36])[n:33]1