HRID106583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

结构：CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(CC(=O)O)N2

HCID24858539

未命名化合物

HCID178497433

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCCC1N(Cc1ccc(F)c(Cl)c1)C(=O)CC1=NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2N1

HCID57671207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d225296f7fe94c57aba5cbdaf6f11434
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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