HRID1202180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID280

Carbon dioxide

CO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID685610

未命名化合物

HCID2329132

2-chloro-5-(methylsulfonyl)benzoic acid

C8H7ClO4S

PRODUCTS

生成物

结构：CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)CC2)c(F)c1

HCID59793716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66e1ffed541e41b19b8fe2f60e76b33e
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

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