HRID292119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID123472

Diethylaminosulfur trifluoride

C4H10F3NS

结构：COc1cccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1

HCID58065820

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(N(CC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1

HCID58065896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8e3b7f263cf4407992493d25898c4bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([CH2:16][CH:17]([CH2:18][N:19]([S:20](=[O:21])(=[O:22])[c:23]3[cH:24][cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]3)[c:32]3[cH:33][c:34]([O:38][CH3:39])[cH:35][cH:36][cH:37]3)[OH:40])[c:7]3[cH:8][cH:9][c:10]([Br:15])[cH:11][c:12]3[c:13]2[cH:14]1.[CH2:41]([N:42]([S:43]([F:44])([F:45])[F:47])[CH2:46][CH3:48])[CH3:49]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([CH2:16][CH:17]([CH2:18][N:19]([S:20](=[O:21])(=[O:22])[c:23]3[cH:24][cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]3)[c:32]3[cH:33][c:34]([O:38][CH3:39])[cH:35][cH:36][cH:37]3)[F:47])[c:7]3[cH:8][cH:9][c:10]([Br:15])[cH:11][c:12]3[c:13]2[cH:14]1