HRID308971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID22507733

3-Ethoxyazetidine

C5H11NO

反应SMILES：COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccnc(Br)c3)nc12

HCID22993429

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC1CN(c2cc(C(=O)Nc3nc4c(OC)ccc(N5CCOCC5)c4s3)ccn2)C1

HCID10227046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-196d6917ac2e4b3e982cba656950a728
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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