HRID702394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID954258

4-Iodobenzyl bromide

C7H6BrI

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3O)n2)c1C(F)(F)F

HCID136298134

1H-Pyrazole-4-carboxylic acid, 1-[6-(2-hydroxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)-, ethyl ester

C18H14F3N3O3

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(I)cc3)n2)c1C(F)(F)F

HCID67159424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b677704057c426d8026aacb93a66664
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[O-:40].[Cl-:43].[Cs+:41].[Cs+:42].[I:28][c:29]1[cH:30][cH:31][c:32]([CH2:33][Br:34])[cH:35][cH:36]1.[NH4+:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][cH:11][c:12](-[n:14]3[n:15][cH:16][c:17]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:18]3[C:19]([F:20])([F:21])[F:22])[n:13]2)[cH:4][cH:5][cH:6][cH:7]1>>[O:1]([c:2]1[c:3](-[c:8]2[cH:9][cH:10][cH:11][c:12](-[n:14]3[n:15][cH:16][c:17]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:18]3[C:19]([F:20])([F:21])[F:22])[n:13]2)[cH:4][cH:5][cH:6][cH:7]1)[CH2:33][c:32]1[cH:31][cH:30][c:29]([I:28])[cH:36][cH:35]1