HRID184519

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

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

HCID24858539

未命名化合物

HCID69026706

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1C2CCC(C2)C1N(CCC(C)C)C(=O)CC1=NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2N1

HCID178468415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b92ce004b35c44a5a3405209d8f29b10
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

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