HRID1141978

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

HCID6328

Methyl iodide

CH3I

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CCOC(=O)Cc1nsc2ccc(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)cc12

HCID10960337

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

HCID11729347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55b7cbc507bf4fc8b5b74f43cfb9b022
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

[C:28](=[O:29])([O-:30])[O-:31].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[I:34][CH3:35].[K+:32].[K+:33].[O:1]=[c:2]1[n:3](-[c:13]2[cH:14][cH:15][c:16]3[c:17]([c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[n:19][s:20]3)[cH:27]2)[c:4](=[O:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[nH:7]1.[OH2:47]>>[O:1]=[c:2]1[n:3](-[c:13]2[cH:14][cH:15][c:16]3[c:17]([c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[n:19][s:20]3)[cH:27]2)[c:4](=[O:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[n:7]1[CH3:28]