HRID1124671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID1390

1-Methylimidazole

C4H6N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID65725

3-Amino-2-oxazolidinone

C3H6N2O2

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1

HCID81042

2,4,6-Triisopropylbenzenesulfonyl chloride

C15H23ClO2S

HCID15611944

2-Chloro-6-[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid

C13H11ClN2O5

PRODUCTS

生成物

结构：COc1cc(OC)nc(Oc2cccc(Cl)c2C(=O)NN2CCOC2=O)n1

HCID19884433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53bdf39518c143e38e405a2fe680e96f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:53][n:54]1[cH:55][cH:56][n:57][cH:58]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH:34]([c:35]1[cH:36][c:37]([CH:38]([CH3:39])[CH3:40])[cH:41][c:42]([CH:43]([CH3:44])[CH3:45])[c:46]1[S:47]([Cl:48])(=[O:49])=[O:50])([CH3:51])[CH3:52].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([O:11][c:12]2[n:13][c:14]([O:20][CH3:21])[cH:15][c:16]([O:18][CH3:19])[n:17]2)[cH:8][cH:9][cH:10]1.[NH2:27][N:28]1[C:29](=[O:33])[O:30][CH2:31][CH2:32]1.[OH2:64].[S:22]([OH:23])([OH:24])(=[O:25])=[O:26]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:27][N:28]2[C:29](=[O:33])[O:30][CH2:31][CH2:32]2)[c:7]([O:11][c:12]2[n:13][c:14]([O:20][CH3:21])[cH:15][c:16]([O:18][CH3:19])[n:17]2)[cH:8][cH:9][cH:10]1