HRID1541330

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID3845034

2-Chloropyridine-5-boronic acid

C5H5BClNO2

结构：CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F

HCID11984556

N-[3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide

C17H14BrF2N3O3S

PRODUCTS

生成物

结构：CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)nc4)cc23)c1F

HCID49779383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03a9aecaf61d44309572a04cf0e5f016
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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