HRID1119221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID4100862

2-Ethylphenylboronic acid

C8H11BO2

结构：COC(=O)CCCCCNc1ncnc2oc(Br)c(-c3ccc(OC)cc3)c12

HCID58016901

未命名化合物

PRODUCTS

生成物

结构：CCc1ccccc1-c1oc2ncnc(NCCCCCC(=O)OC)c2c1-c1ccc(OC)cc1

HCID58016850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a839840652d844d690eb682514336399
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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