HRID177197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID18932867

4-Chloro-7,8-dihydro[1,4]dioxino[2,3-g]quinazoline

C10H7ClN2O2

反应SMILES：CC(C)(C)c1cc(NC(=O)Nc2cccc(S)c2)no1

HCID66875809

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ncnc4cc5c(cc34)OCCO5)c2)no1

HCID58267952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-13f27e99c3664596b080fab0164a7253
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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