HRID1237949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6318

4-Chlorobenzoic acid

C7H5ClO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

HCID67118429

未命名化合物

PRODUCTS

生成物

结构：O=C(NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1

HCID86652724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb2266b722574cd0b3a2af1684e27211
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

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