HRID203853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID11521348

tert-Butyl 6-chloronicotinate

C10H12ClNO2

HCID17938263

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(NCCc2cc(Br)ccc2OCc2ccccc2)nc1

HCID22675506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-494f51fe97314283b51a088ac309ff64
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:33](=[O:34])([O-:35])[O-:36].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:16][CH2:17][NH2:18])[cH:11][c:12]([Br:15])[cH:13][cH:14]1.[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[Cl:19][c:20]1[n:21][cH:22][c:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:24][cH:25]1.[K+:37].[K+:38].[OH2:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:16][CH2:17][NH:18][c:20]2[n:21][cH:22][c:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:24][cH:25]2)[cH:11][c:12]([Br:15])[cH:13][cH:14]1