HRID1222440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75430

Butane-1-sulfonyl chloride

C4H9ClO2S

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(C(F)(F)F)nc1OCCN

HCID18184237

未命名化合物

PRODUCTS

生成物

结构：CCCCS(=O)(=O)NCCOc1nc(C(F)(F)F)nc(NS(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC

HCID18184221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d928a349e0fd4c18963552fb485d2a3d
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

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