HRID308877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID82140

2-Aminoimidazole

C3H5N3

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(CCNc2ncc[nH]2)(c2ccc(F)cc2)OC1=O

HCID178435772

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-afc2ad481d41474c85c3c0241b35a5f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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].[CH3:50][C:51]#[N:52].[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49].[nH:38]1[c:39]([NH2:43])[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)[NH:43][c:39]1[nH:38][cH:42][cH:41][n:40]1