HRID206674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1Cl

HCID12067654

2-(3-Chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionic acid

C15H19ClO4S

HCID21897382

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnc(C3=CCCCO3)cn2)cc1Cl

HCID21897394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc70ef2047a24666bb766337e99692a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:49]([Cl:50])[Cl:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[Cl:22][C:23]([C:24]([Cl:25])=[O:26])=[O:27].[O:28]1[C:29]([c:34]2[n:35][cH:36][c:37]([NH2:40])[n:38][cH:39]2)=[CH:30][CH2:31][CH2:32][CH2:33]1.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:62].[n:41]1[c:42]([CH3:43])[cH:44][cH:45][cH:46][c:47]1[CH3:48]>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:15])[NH:40][c:37]2[cH:36][n:35][c:34]([C:29]3=[CH:30][CH2:31][CH2:32][CH2:33][O:28]3)[cH:39][n:38]2)[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]