HRID1218471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID90078

3,5-Dichloro-2-hydroxybenzenesulphonyl chloride

C6H3Cl3O3S

结构：O=S(=O)(c1cccc(CNCc2ccc(F)cc2)c1)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1

HCID58531573

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1cccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1

HCID58531482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1609aff3586e4cd8b994bdc1530fbedb
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

[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][c:12]([CH2:16][NH:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[cH:13][cH:14][cH:15]2)[CH2:26][c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[cH:34][c:35]([Cl:37])[cH:36]1.[Cl:38][c:39]1[c:40]([OH:50])[c:41]([S:46](=[O:47])(=[O:48])[Cl:49])[cH:42][c:43]([Cl:45])[cH:44]1.[S:58]([Cl:59])([Cl:60])(=[O:61])=[O:62]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][c:12]([CH2:16][N:17]([CH2:18][c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[S:46]([c:41]3[c:40]([OH:50])[c:39]([Cl:38])[cH:44][c:43]([Cl:45])[cH:42]3)(=[O:47])=[O:48])[cH:13][cH:14][cH:15]2)[CH2:26][c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[cH:34][c:35]([Cl:37])[cH:36]1