HRID1234231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID237555

1-Pentanesulfonyl chloride

C5H11ClO2S

反应SMILES：Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1

HCID66905728

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCCS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1

HCID11386162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2271b4f831f247f3abba48c1a9c699c8
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

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