HRID1149213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID89906

2-Bromo-5-methoxybenzoic acid

C8H7BrO3

HCID17750349

tert-Butyl [2-oxo-2-(piperazin-1-yl)ethyl]carbamate

C11H21N3O3

PRODUCTS

生成物

结构：COc1ccc(Br)c(C(=O)N2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)c1

HCID59559647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97a440e301d84bb298660eff0750e7cd
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:20][c:21]1[c:22]([C:23](=[O:24])[OH:25])[cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]1.[C:44]([CH3:45])([CH3:46])([CH3:47])[O:48][C:49]([NH:50][CH2:51][C:52]([N:53]1[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]1)=[O:59])=[O:60].[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:43].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:66].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[Br:20][c:21]1[c:22]([C:23](=[O:25])[N:56]2[CH2:55][CH2:54][N:53]([C:52]([CH2:51][NH:50][C:49]([O:48][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:60])=[O:59])[CH2:58][CH2:57]2)[cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]1