HRID1129254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2773543

2-(Methylthio)phenylboronic acid

C7H9BO2S

结构：CCCN(C(=O)Nc1ccc(I)cc1)N(C(=O)OC(C)(C)C)c1cccc(C#N)c1

HCID11191609

未命名化合物

PRODUCTS

生成物

结构：CCCN(C(=O)Nc1ccc(-c2ccccc2SC)cc1)N(C(=O)OC(C)(C)C)c1cccc(C#N)c1

HCID22591496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb310189c7ba4fa0af52012ba99357f5
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

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