HRID2325055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID4340561

2-Aminoethylmethyl sulfone

C3H9NO2S

反应SMILES：CC(C)NC(=O)c1ccccc1Nc1nc(Nc2ccc(C=O)cc2)ncc1F

HCID57974221

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)NC(=O)c1ccccc1Nc1nc(Nc2ccc(CNCCS(C)(=O)=O)cc2)ncc1F

HCID57974158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d7d4c13237204d6f92f172fdee500b4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:30][S:31](=[O:32])(=[O:33])[CH2:34][CH2:35][NH2:36].[Cl:37][CH2:38][Cl:39].[F:1][c:2]1[c:3]([NH:17][c:18]2[c:19]([C:20](=[O:21])[NH:22][CH:23]([CH3:24])[CH3:25])[cH:26][cH:27][cH:28][cH:29]2)[n:4][c:5]([NH:8][c:9]2[cH:10][cH:11][c:12]([CH:15]=[O:16])[cH:13][cH:14]2)[n:6][cH:7]1>>[F:1][c:2]1[c:3]([NH:17][c:18]2[c:19]([C:20](=[O:21])[NH:22][CH:23]([CH3:24])[CH3:25])[cH:26][cH:27][cH:28][cH:29]2)[n:4][c:5]([NH:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][NH:36][CH2:35][CH2:34][S:31]([CH3:30])(=[O:32])=[O:33])[cH:13][cH:14]2)[n:6][cH:7]1