HRID2334066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID19660

Carbonate

CO3-2

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

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(C#N)cc3)cc2)C(N)=O)CCOCC1

HCID68427965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d919ea975949417380cdf0ea450a587e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:30](#[N:31])[c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:48][CH:49]1[CH2:50][CH2:51][CH2:52][O:53]1.[K+:45].[K+:46].[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].[OH2:47]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:35]2[cH:34][cH:33][c:32]([C:30]#[N:31])[cH:37][cH:36]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]