HRID148975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

反应SMILES：CC(c1ccc(-c2ccc(F)cc2F)cc1)N1CCC(CCOS(C)(=O)=O)(c2ccc(F)cc2)OC1=O

HCID178435779

未命名化合物

PRODUCTS

产物

反应SMILES：CC(c1ccc(-c2ccc(F)cc2F)cc1)N1CCC(CCn2ccnc2)(c2ccc(F)cc2)OC1=O

HCID140176714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bb81a66aa29b46589885143ffa0a9527
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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