HRID1220829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl

HCID59764378

2,5-Dichloro-N-[2-(propane-2-sulfonyl)phenyl]pyrimidin-4-amine

C13H13Cl2N3O2S

HCID67264329

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCN(C(CF)CF)CC2

HCID66830387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47cc160d79f042c69a6c80373e3aa59a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Cl:20][c:21]1[n:22][cH:23][c:24]([Cl:40])[c:25]([NH:27][c:28]2[c:29]([S:34](=[O:35])(=[O:36])[CH:37]([CH3:38])[CH3:39])[cH:30][cH:31][cH:32][cH:33]2)[n:26]1.[F:1][CH2:2][CH:3]([CH2:4][F:5])[N:6]1[CH2:7][CH2:8][c:9]2[c:10]([cH:13][c:14]([NH2:19])[c:15]([O:17][CH3:18])[cH:16]2)[CH2:11][CH2:12]1>>[F:1][CH2:2][CH:3]([CH2:4][F:5])[N:6]1[CH2:7][CH2:8][c:9]2[c:10]([cH:13][c:14]([NH:19][c:21]3[n:22][cH:23][c:24]([Cl:40])[c:25]([NH:27][c:28]4[c:29]([S:34](=[O:35])(=[O:36])[CH:37]([CH3:38])[CH3:39])[cH:30][cH:31][cH:32][cH:33]4)[n:26]3)[c:15]([O:17][CH3:18])[cH:16]2)[CH2:11][CH2:12]1