HRID188592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2756424

tert-Butyl (2-aminoethyl)methylcarbamate

C8H18N2O2

HCID57731645

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cc(Br)ccc1NC(=O)NCCN(C)C(=O)OC(C)(C)C

HCID57731600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09e5daaf745b44b090291335f9d1124b
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

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