HRID1127283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16414216

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile

C12H15BN2O2

结构：NC1=NC(c2ccnc(C(F)(F)F)c2)(c2cc(Br)ccc2F)c2cccc(F)c21

HCID58579538

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cncc(-c2ccc(F)c(C3(c4ccnc(C(F)(F)F)c4)N=C(N)c4c(F)cccc43)c2)c1

HCID46205642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e3103eda08747b6bf9766d02b8e0401
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]([F:29])[c:6]([C:8]2([c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[n:22][cH:23][cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:7]1.[CH3:30][C:31]1([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36][B:37]([c:38]2[cH:39][n:40][cH:41][c:42]([C:43]#[N:44])[cH:45]2)[O:46]1>>[c:2]1(-[c:38]2[cH:39][n:40][cH:41][c:42]([C:43]#[N:44])[cH:45]2)[cH:3][cH:4][c:5]([F:29])[c:6]([C:8]2([c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[n:22][cH:23][cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:7]1