HRID2124289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID2155

2-Aminothiazole

C3H4N2S

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID22337914

未命名化合物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(S)cc1-c1ccccc1

HCID23436400

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(SC(=O)Nc2nccs2)cc1-c1ccccc1

HCID18361344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c16abc38c7584d248ce7d026982bcd80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:60]([Cl:61])[Cl:62].[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9][c:10]([SH:13])[cH:11][cH:12]1)=[O:20])[CH2:21][CH2:22][S:23][CH3:24])=[O:25].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:37][NH:38][N:39]1[CH:40]=[CH:41][C:42]([NH:43][CH3:44])=[CH:45][CH2:46]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl:26][C:27]([Cl:28])=[O:29].[NH2:47][c:48]1[s:49][cH:50][cH:51][n:52]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9][c:10]([S:13][C:27](=[O:29])[NH:47][c:48]2[s:49][cH:50][cH:51][n:52]2)[cH:11][cH:12]1)=[O:20])[CH2:21][CH2:22][S:23][CH3:24])=[O:25]