HRID939772

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

结构：CN1C(=O)COc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

HCID53217205

4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one

C15H20BNO4

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：CN1C(=O)COc2ccc(-c3ccc(CC(NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)C(N)=O)cc3)cc21

HCID72328346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8467ff13ef4a48b1931afdb2aea8da86
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:30][N:31]1[c:32]2[c:33]([cH:38][cH:39][c:40]([B:42]3[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]3)[cH:41]2)[O:34][CH2:35][C:36]1=[O:37].[CH3:57][C:58]#[N:59].[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+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56]>>[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:33]3[c:32]([cH:41]2)[N:31]([CH3:30])[C:36](=[O:37])[CH2:35][O:34]3)[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]