HRID1144418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID76430

Thiazole, 2-bromo-

C3H2BrNS

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ccccc1

HCID25160740

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ccccc1

HCID59762285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-228aeb0432fc42d4b8b4b8b8212d3fc1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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