HRID1121867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID19660

Carbonate

CO3-2

HCID20111877

(5-Chloropyridin-3-yl)boronic acid

C5H5BClNO2

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

HCID57385883

未命名化合物

PRODUCTS

生成物

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

HCID57386149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6111ac4c21554419813cf58b4ff097f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:16]([cH:17]1)[C:15]1([C:7]3([CH2:6]2)[CH2:8][CH2:9][C:10]([F:13])([F:14])[CH2:11][CH2:12]3)[N:18]=[C:19]([CH3:23])[C:20]([NH2:22])=[N:21]1.[CH3:41][CH:42]1[CH2:43][CH2:44][CH2:45][O:46]1.[Cl:24][c:25]1[cH:26][c:27]([B:31]([OH:32])[OH:33])[cH:28][n:29][cH:30]1.[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[OH2:40]>>[c:2]1(-[c:27]2[cH:26][c:25]([Cl:24])[cH:30][n:29][cH:28]2)[cH:3][cH:4][c:5]2[c:16]([cH:17]1)[C:15]1([C:7]3([CH2:6]2)[CH2:8][CH2:9][C:10]([F:13])([F:14])[CH2:11][CH2:12]3)[N:18]=[C:19]([CH3:23])[C:20]([NH2:22])=[N:21]1