HRID165245

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

HCID11289942

4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline

C14H17ClN2O4

HCID66875809

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1OCCOC

HCID58267938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6db22b81f3e41b9b38ecf71892f6c82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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:42](=[O:43])([O-:44])[O-:45].[CH:48]([OH:49])([CH3:50])[CH3:51].[Cl:21][c:22]1[n:23][cH:24][n:25][c:26]2[cH:27][c:28]([O:37][CH2:38][CH2:39][O:40][CH3:41])[c:29]([O:32][CH2:33][CH2:34][O:35][CH3:36])[cH:30][c:31]12.[Cs+:46].[Cs+:47]>>[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:37][CH2:38][CH2:39][O:40][CH3:41])[c:29]([O:32][CH2:33][CH2:34][O:35][CH3:36])[cH:30][c:31]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1