HRID1151301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID59299875

未命名化合物

HCID68692764

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(=O)c2ccc(Br)cc2C1=CNCc1ccc(OCCN2CCCC2)c(O)c1

HCID178518274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2d0cee56706448494fbdffbfc34567d
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:25][c:26]1[cH:27][c:28]2[c:33]([cH:34][cH:35]1)[C:32](=[O:36])[NH:31][C:30](=[O:37])[C:29]2=[CH:38][O:39][CH3:40].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)[c:7]([OH:9])[cH:8]1.[OH2:41]>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([O:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)[c:7]([OH:9])[cH:8]1)[CH:38]=[C:29]1[c:28]2[cH:27][c:26]([Br:25])[cH:35][cH:34][c:33]2[C:32](=[O:36])[NH:31][C:30]1=[O:37]