HRID284314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID3776

Isopropanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

HCID69231312

未命名化合物

PRODUCTS

生成物

结构：CC1CCCN1C1CC(c2nc3ccc(-c4cncnc4)cc3s2)C1

HCID67146469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12e5e9cda1d244d986109794bf17dbb8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH:11]([N:13]4[CH:14]([CH3:18])[CH2:15][CH2:16][CH2:17]4)[CH2:12]3)[s:8]2)[cH:19][cH:20]1.[C:30](=[O:31])([O-:32])[O-:33].[CH:36]([OH:37])([CH3:38])[CH3:39].[K+:34].[K+:35].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[n:21]1[cH:22][n:23][cH:24][c:25]([B:27]([OH:28])[OH:29])[cH:26]1>>[c:2]1(-[c:25]2[cH:24][n:23][cH:22][n:21][cH:26]2)[cH:3][c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH:11]([N:13]4[CH:14]([CH3:18])[CH2:15][CH2:16][CH2:17]4)[CH2:12]3)[s:8]2)[cH:19][cH:20]1