HRID1567440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：COc1cc(F)ccc1-c1ccc2c(c1CCl)C(C)=CC(C)(C)N2

HCID58027034

未命名化合物

HCID178425911

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)ccc1-c1ccc2c(c1COC(=S)c1ccc(C)cc1)C(C)=CC(C)(C)N2

HCID86637605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1be6d9ad07744ecabe8a13e61d089d1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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