HRID680733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID16757

5-Phenylvaleric acid

C11H14O2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID45122407

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCCc1ccccc1)Nc1ccc2c(c1O)C(=O)CC2

HCID57781279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4c41390db274d0da9f19b0ddd03d78d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BrH:1].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:49][CH2:50][O:51][CH2:52][CH3:53].[NH2:2][c:3]1[cH:4][cH:5][c:6]2[c:10]([c:11]1[OH:12])[C:9](=[O:13])[CH2:8][CH2:7]2.[P:27]([C:28]#[N:29])([O:30][CH2:31][CH3:32])([O:33][CH2:34][CH3:35])=[O:36].[c:14]1([CH2:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[OH:26])[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH:2]([c:3]1[cH:4][cH:5][c:6]2[c:10]([c:11]1[OH:12])[C:9](=[O:13])[CH2:8][CH2:7]2)[C:24]([CH2:23][CH2:22][CH2:21][CH2:20][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)=[O:25]