HRID188732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2778218

4-Bromo-3-fluorobenzenesulfonyl chloride

C6H3BrClFO2S

HCID58988139

未命名化合物

HCID68682594

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2cncc(NS(=O)(=O)c3ccc(Br)c(F)c3)c2)CC(C)N1

HCID68679756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11c61767b59749d695199593d3842b12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([S:6]([NH:7][c:8]2[cH:9][cH:10][n:11][c:12]([Cl:13])[cH:14]2)(=[O:15])=[O:16])[cH:17][cH:18]1.[Br:34][c:35]1[c:36]([F:45])[cH:37][c:38]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:39][cH:40]1.[CH3:19][CH:20]1[CH2:21][N:22]([c:27]2[cH:28][c:29]([NH2:33])[cH:30][n:31][cH:32]2)[CH2:23][CH:24]([CH3:26])[NH:25]1>>[CH3:19][CH:20]1[CH2:21][N:22]([c:27]2[cH:28][c:29]([NH:33][S:41]([c:38]3[cH:37][c:36]([F:45])[c:35]([Br:34])[cH:40][cH:39]3)(=[O:42])=[O:43])[cH:30][n:31][cH:32]2)[CH2:23][CH:24]([CH3:26])[NH:25]1