HRID181317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID44886919

[4-(Azetidine-1-sulfonyl)phenyl]boronic acid

C9H12BNO4S

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2ccc(I)cc2)C(N)=O)CCOCC1

HCID68431026

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2ccc(-c3ccc(S(=O)(=O)N4CCC4)cc3)cc2)C(N)=O)CCOCC1

HCID77795517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e59e3de8c7b746878e7ef37ca7e4faf5
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

[CH3:52][C:53]#[N:54].[N:30]1([S:34](=[O:35])(=[O:36])[c:37]2[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]2)[CH2:31][CH2:32][CH2:33]1.[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([I:11])[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[C:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)=[O:29].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:40]2[cH:39][cH:38][c:37]([S:34]([N:30]3[CH2:31][CH2:32][CH2:33]3)(=[O:35])=[O:36])[cH:42][cH:41]2)[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[C:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)=[O:29]