HRID1148461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID337469

5-bromo-3-methyl-3H-benzooxazol-2-one

C8H6BrNO2

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(N)=O)CCOCC1

HCID66645178

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)oc2ccc(-c3ccc(CC(NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)C(N)=O)cc3)cc21

HCID72328343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-524c70c11fb443aaadfa16ba97537a03
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

[Br:38][c:39]1[cH:40][cH:41][c:42]2[c:43]([n:44]([CH3:48])[c:45](=[O:47])[o:46]2)[cH:49]1.[C:50](=[O:51])([O-:52])[O-:53].[CH3:56][C:57]#[N:58].[K+:54].[K+:55].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[C:23]1([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:37]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:39]2[cH:40][cH:41][c:42]3[c:43]([n:44]([CH3:48])[c:45](=[O:47])[o:46]3)[cH:49]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[C:23]1([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:37]