HRID2338507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)O)c2)c1

HCID57657847

未命名化合物

HCID76585231

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CS(=O)(=NC(=O)c1cncc(C#Cc2cccc(NC(=O)c3occc3C)c2)c1)c1ccccc1

HCID178473183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83ee2c047f124b12b23a5fc3c5b8e396
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:16][c:17]1[c:18]([C:22](=[O:23])[NH:24][c:25]2[cH:26][c:27]([C:31]#[C:32][c:33]3[cH:34][n:35][cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41]3)[cH:28][cH:29][cH:30]2)[o:19][cH:20][cH:21]1.[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[CH3:60][N:61]([CH3:62])[c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[ClH:42].[ClH:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[c:1]1([S:7](=[O:8])(=[NH:9])[CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[N:9][C:38]([c:37]2[cH:36][n:35][cH:34][c:33]([C:32]#[C:31][c:27]3[cH:26][c:25]([NH:24][C:22]([c:18]4[c:17]([CH3:16])[cH:21][cH:20][o:19]4)=[O:23])[cH:30][cH:29][cH:28]3)[cH:41]2)=[O:39])[CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1