HRID1215171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：CNC(=O)c1cccc2nc(C(C)Nc3ncnc(N)c3I)n(C3CC3)c12

HCID67432849

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cccc2nc(C(C)Nc3ncnc(N)c3-c3ccc(S(C)(=O)=O)cc3)n(C3CC3)c12

HCID76044448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fd7b68a603c45bf8cb6badd0c87d1d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:28](=[O:29])([O-:30])[O-:31].[CH3:34][S:35](=[O:36])(=[O:37])[c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1.[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[NH2:1][c:2]1[c:3]([I:27])[c:4]([NH:8][CH:9]([CH3:10])[c:11]2[n:12][c:13]3[c:14]([n:15]2[CH:16]2[CH2:17][CH2:18]2)[c:19]([C:23](=[O:24])[NH:25][CH3:26])[cH:20][cH:21][cH:22]3)[n:5][cH:6][n:7]1.[Na+:32].[Na+:33].[OH2:53]>>[NH2:1][c:2]1[c:3](-[c:41]2[cH:40][cH:39][c:38]([S:35]([CH3:34])(=[O:36])=[O:37])[cH:43][cH:42]2)[c:4]([NH:8][CH:9]([CH3:10])[c:11]2[n:12][c:13]3[c:14]([n:15]2[CH:16]2[CH2:17][CH2:18]2)[c:19]([C:23](=[O:24])[NH:25][CH3:26])[cH:20][cH:21][cH:22]3)[n:5][cH:6][n:7]1