HRID94992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID11708078

5-CYANO-1-METHYL-1H-PYRROL-2-YLBORONIC ACID

C6H7BN2O2

HCID71423726

[4-Bromo-2-(propan-2-yl)phenyl]cyanamide

C10H11BrN2

PRODUCTS

生成物

HCID16037642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96b605ea505845fa95ad8bbbe4ab270e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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