HRID1128419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID10680218

4-bromo-2-methoxy-6-methylaniline

C8H10BrNO

HCID67273048

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(CC)n(-c2cccc3nc(Nc4c(C)cc(Br)cc4OC)n(C)c23)n1

HCID11977537

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-034139d0cda945d1a167cde4201dfdfa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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