HRID166447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

反应SMILES：Cc1nc(-n2cnn(CCOS(C)(=O)=O)c2=O)sc1C(=O)NCc1cccnc1

HCID59481264

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nc(-n2cnn(CCOC(=O)NCc3ccc(F)cc3)c2=O)sc1C(=O)NCc1cccnc1

HCID59481195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-669165ad6fed4c3786f5c5eadd8a7827
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

[C:30]([O-:31])([O-:32])=[O:33].[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH2:7][n:8]1[n:9][cH:10][n:11](-[c:14]2[s:15][c:16]([C:20]([NH:21][CH2:22][c:23]3[cH:24][n:25][cH:26][cH:27][cH:28]3)=[O:29])[c:17]([CH3:19])[n:18]2)[c:12]1=[O:13].[F:36][c:37]1[cH:38][cH:39][c:40]([CH2:43][NH2:44])[cH:41][cH:42]1.[K+:34].[K+:35].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[O:5]([CH2:6][CH2:7][n:8]1[n:9][cH:10][n:11](-[c:14]2[s:15][c:16]([C:20]([NH:21][CH2:22][c:23]3[cH:24][n:25][cH:26][cH:27][cH:28]3)=[O:29])[c:17]([CH3:19])[n:18]2)[c:12]1=[O:13])[C:30](=[O:33])[NH:44][CH2:43][c:40]1[cH:39][cH:38][c:37]([F:36])[cH:42][cH:41]1