HRID305574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

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(CCNCc3ccc(F)cc3)c2=O)sc1C(=O)NCc1cccnc1

HCID59481183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f504d79175424eefb25ae71be7e8d12d
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][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])(=[O:4])=[O:5].[CH3:39][OH:40].[F:30][c:31]1[cH:32][cH:33][c:34]([CH2:37][NH2:38])[cH:35][cH:36]1>>[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])[NH:38][CH2:37][c:34]1[cH:33][cH:32][c:31]([F:30])[cH:36][cH:35]1