HRID1203980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID20111877

(5-Chloropyridin-3-yl)boronic acid

C5H5BClNO2

结构：CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)F)CC1

HCID67979577

未命名化合物

PRODUCTS

生成物

结构：CC1=NC2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1CC21CCC(C(F)F)CC1

HCID67979384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f85d1ffc5a3b463183012d6b15ee27f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:17]([cH:18]1)[C:16]1([C:7]3([CH2:6]2)[CH2:8][CH2:9][CH:10]([CH:13]([F:14])[F:15])[CH2:11][CH2:12]3)[N:19]=[C:20]([CH3:24])[C:21]([NH2:23])=[N:22]1.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[Cl:25][c:26]1[cH:27][c:28]([B:32]([OH:33])[OH:34])[cH:29][n:30][cH:31]1.[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40]>>[c:2]1(-[c:28]2[cH:27][c:26]([Cl:25])[cH:31][n:30][cH:29]2)[cH:3][cH:4][c:5]2[c:17]([cH:18]1)[C:16]1([C:7]3([CH2:6]2)[CH2:8][CH2:9][CH:10]([CH:13]([F:14])[F:15])[CH2:11][CH2:12]3)[N:19]=[C:20]([CH3:24])[C:21]([NH2:23])=[N:22]1