HRID2325823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

4 次

HCID1117

Sulfate

O4S-2

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID16640642

2-(4-Bromo-1H-pyrazol-1-yl)ethan-1-ol

C5H7BrN2O

HCID59320295

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2nnc(Cc3ccc4ncc(-c5cnn(CCO)c5)cc4c3)n2n1

HCID59320365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87c70253af2a4c078cbd858e89536c71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][c:8]([CH2:12][c:13]3[n:14][n:15][c:16]4[n:17]3[n:18][c:19]([CH3:22])[cH:20][cH:21]4)[cH:9][c:10]2[cH:11]1.[Br:28][c:29]1[cH:30][n:31][n:32]([CH2:34][CH2:35][OH:36])[cH:33]1.[CH3:24][C:25](=[O:26])[O-:27].[CH3:50][C:51]([N:52]([CH3:53])[CH3:54])=[O:55].[CH3:56][C:57]#[N:58].[K+:23].[Na+:37].[Na+:38].[Na+:43].[Na+:44].[O-:39][C:40](=[O:41])[O-:42].[O-:45][S:46]([O-:47])(=[O:48])=[O:49]>>[c:2]1(-[c:29]2[cH:30][n:31][n:32]([CH2:34][CH2:35][OH:36])[cH:33]2)[cH:3][n:4][c:5]2[cH:6][cH:7][c:8]([CH2:12][c:13]3[n:14][n:15][c:16]4[n:17]3[n:18][c:19]([CH3:22])[cH:20][cH:21]4)[cH:9][c:10]2[cH:11]1