HRID700696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID44119560

N-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide

C13H19BN2O3

结构：CN1CCN(c2cc(N3CCc4cc(F)c(Br)cc4C3)nc(N)n2)CC1

HCID59402336

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc(-c2cc3c(cc2F)CCN(c2cc(N4CCN(C)CC4)nc(N)n2)C3)cn1

HCID59402323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54eaa98be9884a13a043f3f3ee8289fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([F:26])[cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH2:7][CH2:6]2.[C:46](=[O:47])([O-:48])[O-:49].[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[CH3:27][NH:28][C:29](=[O:30])[c:31]1[n:32][cH:33][c:34]([B:37]2[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]2)[cH:35][cH:36]1.[Cl:52][CH2:53][Cl:54].[K+:50].[K+:51].[OH2:61]>>[c:2]1(-[c:34]2[cH:33][n:32][c:31]([C:29]([NH:28][CH3:27])=[O:30])[cH:36][cH:35]2)[c:3]([F:26])[cH:4][c:5]2[c:10]([cH:11]1)[CH2:9][N:8]([c:12]1[n:13][c:14]([NH2:25])[n:15][c:16]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:17]1)[CH2:7][CH2:6]2