HRID681799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID91232

Hexane, 2,5-dibromo-

C6H12Br2

HCID10401227

未命名化合物

PRODUCTS

生成物

结构：CC(Br)CCC(C)Oc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1

HCID19029919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2206bd3b28fb49738a6554d7d36267d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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