HRID89578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID78345

Pyrimidine, 2-bromo-

C4H3BrN2

结构：COC(=O)CCc1ccc(OCC(C)c2nc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)sc2C)cc1C

HCID58765844

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(OCC(C)c2nc(-c3ccc(-c4ncccn4)cc3)sc2C)cc1C

HCID58765697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-238cd1e25fc549e2bfe7c6fa4885396d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:39][c:40]1[n:41][cH:42][cH:43][cH:44][n:45]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:37])[cH:8][c:9]([O:12][CH2:13][CH:14]([CH3:15])[c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][c:25]([B:28]4[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]4)[cH:26][cH:27]3)[s:19][c:20]2[CH3:21])[cH:10][cH:11]1)=[O:38].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:37])[cH:8][c:9]([O:12][CH2:13][CH:14]([CH3:15])[c:16]2[n:17][c:18](-[c:22]3[cH:23][cH:24][c:25](-[c:40]4[n:41][cH:42][cH:43][cH:44][n:45]4)[cH:26][cH:27]3)[s:19][c:20]2[CH3:21])[cH:10][cH:11]1)=[O:38]