HRID138888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID44119444

5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methyl-1H-pyrazole

C9H15BN2O2

结构：CC(C)(C)OC(=O)NCC(NC(=O)c1csc(Br)c1)c1ccccc1

HCID68397679

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1-c1cc(C(=O)NC(CNC(=O)OC(C)(C)C)c2ccccc2)cs1

HCID86651711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffe26f71602a41e7a9160eb9a0e64096
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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