HRID110381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1

HCID45466238

未命名化合物

HCID58841354

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)NC1CCCc2nc(CCO)ncc21

HCID68930814

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b48f3b8752f84382ba11576c29784b29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:51]([Cl:52])[CH2:53][Cl:54].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][C:10](=[O:11])[OH:12])[NH:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]2)[cH:6][cH:7]1.[NH2:27][CH:28]1[c:29]2[cH:30][n:31][c:32]([CH2:38][CH2:39][OH:40])[n:33][c:34]2[CH2:35][CH2:36][CH2:37]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][C:10](=[O:12])[NH:27][CH:28]2[c:29]3[cH:30][n:31][c:32]([CH2:38][CH2:39][OH:40])[n:33][c:34]3[CH2:35][CH2:36][CH2:37]2)[NH:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]2)[cH:6][cH:7]1