HRID1539957

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

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1

HCID718840

2-{benzyl[(4-methoxyphenyl)sulfonyl]amino}acetic acid

C16H17NO5S

HCID2735329

1,2,4-Dithiazolidine-3-thione, 5-imino-

C2H2N2S3

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(=S)ss2)Cc2ccccc2)cc1

HCID59680515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7e5e3699bde4b4b9d5fe6f6877a63d0
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

[CH2:19]([N:20]=[C:21]=[N:22][CH2:23][CH2:24][CH2:25][N:26]([CH3:27])[CH3:28])[CH3:29].[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[N:37]([CH2:38][C:39](=[O:40])[OH:41])[S:42](=[O:43])(=[O:44])[c:45]1[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[ClH:18].[ClH:60].[NH2:53][c:54]1[s:55][s:56][c:57](=[S:59])[n:58]1.[OH:8][n:9]1[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[n:16][n:17]1>>[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[N:37]([CH2:38][C:39](=[O:40])[NH:53][c:54]1[s:55][s:56][c:57](=[S:59])[n:58]1)[S:42](=[O:43])(=[O:44])[c:45]1[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]1