HRID140020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2795502

4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

C17H26BNO3

结构：COC(=O)c1ccc2c(c1)C(=C1C=C(Br)C(C)(C)O1)C(=O)N2

HCID72464744

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)C(=C1C=C(c3ccc(CN4CCOCC4)cc3)C(C)(C)O1)C(=O)N2

HCID72464708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5ce921c3be34b2b9816dc53eba6f823
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][C:2]1=[CH:3][C:4](=[C:9]2[C:10](=[O:22])[NH:11][c:12]3[cH:13][cH:14][c:15]([C:18](=[O:19])[O:20][CH3:21])[cH:16][c:17]32)[O:5][C:6]1([CH3:7])[CH3:8].[C:46](=[O:47])([O-:48])[O-:49].[CH3:24][C:25]1([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30][B:31]([c:32]2[cH:33][cH:34][c:35]([CH2:36][N:37]3[CH2:38][CH2:39][O:40][CH2:41][CH2:42]3)[cH:43][cH:44]2)[O:45]1.[ClH:23].[Na+:50].[Na+:51].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:52]>>[C:2]1([c:32]2[cH:33][cH:34][c:35]([CH2:36][N:37]3[CH2:38][CH2:39][O:40][CH2:41][CH2:42]3)[cH:43][cH:44]2)=[CH:3][C:4](=[C:9]2[C:10](=[O:22])[NH:11][c:12]3[cH:13][cH:14][c:15]([C:18](=[O:19])[O:20][CH3:21])[cH:16][c:17]32)[O:5][C:6]1([CH3:7])[CH3:8]