HRID99321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2773245

4-Benzyloxy-2-methylphenylboronic acid

C14H15BO3

HCID16096301

Ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate

C9H8ClN3O2S

PRODUCTS

生成物

结构：CCOC(=O)c1cc2c(-c3ccc(OCc4ccccc4)cc3C)nc(N)nc2s1

HCID11200943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73a86dca05a547b888c6fafb7af070db
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

[CH2:19]([CH3:20])[O:21][C:22](=[O:23])[c:24]1[cH:25][c:26]2[c:27]([n:28][c:29]([NH2:33])[n:30][c:31]2[Cl:32])[s:34]1.[CH3:1][c:2]1[c:3]([B:16]([OH:17])[OH:18])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:7]1.[Na+:39].[O-:35][C:36]([OH:37])=[O:38].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[CH3:1][c:2]1[c:3](-[c:31]2[c:26]3[cH:25][c:24]([C:22]([O:21][CH2:19][CH3:20])=[O:23])[s:34][c:27]3[n:28][c:29]([NH2:33])[n:30]2)[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:7]1