HRID193073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID22329200

4-Bromo-1-(propan-2-yl)-1H-pyrazole

C6H9BrN2

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID67019752

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2cnn(C(C)C)c2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID178435842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c6b07c29601415c9e9750b1a3272094
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:7][c:8]1[cH:9][n:10][n:11]([CH:13]([CH3:14])[CH3:15])[cH:12]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Na+:5].[Na+:6].[OH2:51].[OH:16][C:17]([CH2:18][C:19]1([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[CH2:20][CH2:21][N:22]([CH:26]([CH3:27])[c:28]2[cH:29][cH:30][c:31]([B:34]3[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]3)[cH:32][cH:33]2)[C:23](=[O:25])[O:24]1)([CH3:49])[CH3:50]>>[c:8]1(-[c:31]2[cH:30][cH:29][c:28]([CH:26]([N:22]3[CH2:21][CH2:20][C:19]([CH2:18][C:17]([OH:16])([CH3:49])[CH3:50])([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[O:24][C:23]3=[O:25])[CH3:27])[cH:33][cH:32]2)[cH:9][n:10][n:11]([CH:13]([CH3:14])[CH3:15])[cH:12]1