HRID195434

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

HCID4997616

[2-(tert-Butylsulfamoyl)phenyl]boronic acid

C10H16BNO4S

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(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)N(C(=O)OC(C)(C)C)c1cccc(C#N)c1

HCID11342464

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bb927be20e241ec975f97caaff60492
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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.[C:31]([CH3:32])([CH3:33])([CH3:34])[NH:35][S:36](=[O:37])(=[O:38])[c:39]1[c:40]([B:45]([OH:46])[OH:47])[cH:41][cH:42][cH:43][cH:44]1.[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53]>>[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:40]3[c:39]([S:36]([NH:35][C:31]([CH3:32])([CH3:33])[CH3:34])(=[O:37])=[O:38])[cH:44][cH:43][cH:42][cH:41]3)[cH:28][cH:29]2)[cH:6][cH:7][cH:8]1