HRID692194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

HCID27099

Copper(2+)

Cu+2

HCID28179

Fluoride

F-

HCID2734368

2-Methoxy-5-pyridineboronic acid

C6H8BNO3

结构：CC(C)(O)CC1(c2ccccc2)CCN(C2CCCNC2)C(=O)O1

HCID66746656

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCCC(N3CCC(CC(C)(C)O)(c4ccccc4)OC3=O)C2)cn1

HCID67019850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05270369d92d4039867870fbb4b2262c
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

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