HRID1234888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID12176

Glycine ethyl ester

C4H9NO2

HCID246559

未命名化合物

HCID54531055

Ethyl cyano{[(methanesulfonyl)oxy]imino}acetate

C6H8N2O5S

PRODUCTS

生成物

结构：CCOC(=O)CNC(=O)C(CSCc1ccccc1)NC(=O)OCc1ccccc1

HCID20300038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caa1c5a76ce44ca3aaa973bb5dd56b1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][S:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[C:22](=[O:23])[OH:24].[CH2:26]([CH3:27])[O:28][C:29]([CH2:30][NH2:31])=[O:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][S:41]([O:42][N:43]=[C:44]([C:45]#[N:46])[C:47]([O:48][CH2:49][CH3:50])=[O:51])(=[O:52])=[O:53].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[ClH:25].[OH2:65]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH2:13][S:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[C:22](=[O:24])[NH:31][CH2:30][C:29]([O:28][CH2:26][CH3:27])=[O:32]