HRID180801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID10421510

2,4,6-trichloroquinazoline

C8H3Cl3N2

结构：CC(C)(C)OC(=O)N1CCN(c2cccc(B(O)O)c2)CC1

HCID22392008

{3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenyl}boronic acid

C15H23BN2O4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc(-c3nc(Cl)nc4ccc(Cl)cc34)c2)CC1

HCID86672343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74ddaada75b0432888a653818817ea21
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

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