HRID2133587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID13564

ETHANOL, 2-BROMO-, ACETATE

C4H7BrO2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)c1cc(-c2n[nH]c3ncccc23)cc(C(C)(C)C)c1O

HCID178440702

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCn1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cccnc21

HCID197249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-339b2847ebb94daabf353f1e6b933c89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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