HRID1566628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID72879

Methanesulfonamide

CH5NO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：CC(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O

HCID58160370

未命名化合物

PRODUCTS

生成物

结构：CC(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)NS(C)(=O)=O

HCID178442082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7ecd9e962bb4cb8b67b01499b5219bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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