HRID151878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID1484310

2-(Cyclopropylmethoxy)-1H-isoindole-1,3(2H)-dione

C12H11NO3

结构：CCC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F

HCID67269822

未命名化合物

PRODUCTS

生成物

结构：CCC(=NOCC1CC1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F

HCID73036091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f63ec1f87104b7784366ef77de5a1ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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