HRID1230473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID279800

Di-tert-butyl Iminodicarboxylate

C10H19NO4

HCID5462222

Potassium

HCID60088880

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(Cc1cncc(Br)c1)C(=O)OC(C)(C)C

HCID22265925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fc3bb1bd42a476fba7f46636afe6e4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:39].[Br:2][c:3]1[cH:4][c:5]([CH2:9][Cl:10])[cH:6][nH+:7][cH:8]1.[C:18](=[O:19])([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[NH:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:40][CH2:41][CH2:42][CH2:43][N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:1].[K:33].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[Br:2][c:3]1[cH:4][c:5]([CH2:9][N:25]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:6][n:7][cH:8]1