HRID682732

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

HCID11687474

4-Chloro-6,7-diethoxyquinazoline

C12H13ClN2O2

HCID66875809

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1OCC

HCID58267891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa89d01fe3794e7e9ca4a8bd6f43d7f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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:38](=[O:39])([O-:40])[O-:41].[CH:44]([OH:45])([CH3:46])[CH3:47].[Cl:21][c:22]1[n:23][cH:24][n:25][c:26]2[cH:27][c:28]([O:35][CH2:36][CH3:37])[c:29]([O:32][CH2:33][CH3:34])[cH:30][c:31]12.[Cs+:42].[Cs+:43]>>[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]([O:35][CH2:36][CH3:37])[c:29]([O:32][CH2:33][CH3:34])[cH:30][c:31]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1