HRID107408

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

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID3777703

4-bromo-3-methyl-isoquinoline

C10H8BrN

结构：COC(=O)c1ccc(C#N)c(B2OC(C)(C)C(C)(C)O2)c1

HCID56973105

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C#N)c(-c2c(C)ncc3ccccc23)c1

HCID66599630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac03acecccce45bf88157b7aee6e5fd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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