HRID2318219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2155

2-Aminothiazole

C3H4N2S

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：Cc1nnnn1-c1ccc(C(=CC2CCCC2)C(=O)O)cc1S(C)(=O)=O

HCID69692359

未命名化合物

PRODUCTS

生成物

结构：Cc1nnnn1-c1ccc(C(=CC2CCCC2)C(=O)Nc2nccs2)cc1S(C)(=O)=O

HCID90710980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d008b570e7648559a88f6a3035bd14b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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