HRID211071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

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(N3CCc4ccc(Br)cc4C3)nc(N)n2)CC1

HCID46701048

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc(-c2ccc3c(c2)CN(c2cc(N4CCN(C)CC4)nc(N)n2)CC3)cn1

HCID46701049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2073de1eafbe48f5bb34d05aa3cc8d6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][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.[CH2:56]1[O:57][CH2:58][CH2:59][O:60][CH2:61]1.[CH3:26][NH:27][C:28](=[O:29])[c:30]1[n:31][cH:32][c:33]([B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[cH:34][cH:35]1.[Cl:45][CH2:46][Cl:47].[K+:53].[K+:54].[K+:55].[OH2:62].[P:48]([O-:49])([O-:50])([O-:51])=[O:52]>>[c:2]1(-[c:33]2[cH:32][n:31][c:30]([C:28]([NH:27][CH3:26])=[O:29])[cH:35][cH:34]2)[cH:3][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