HRID299569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13139

Diethyl phosphorochloridate

C4H10ClO3P

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID92928

3-(4-Aminophenyl)-2-propenoic acid

C9H9NO2

HCID251522

3-[4-(Acetylamino)phenyl]acrylic acid

C11H11NO3

HCID870794

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(C=CC(=O)N(CCN(C)C)C2CCC(C)CC2)cc1

HCID54208538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab00c08c8054410baf5b04aeaadafee7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([CH:9]=[CH:10][C:11](=[O:12])[OH:13])[cH:14][cH:15]1.[CH2:59]([Cl:60])[Cl:61].[CH3:37][N:38]([CH2:39][CH2:40][NH:41][CH:42]1[CH2:43][CH2:44][CH:45]([CH3:48])[CH2:46][CH2:47]1)[CH3:49].[CH3:50][N:51]([CH3:52])[c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1.[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[NH2:16][c:17]1[cH:18][cH:19][c:20]([CH:21]=[CH:22][C:23]([OH:24])=[O:25])[cH:26][cH:27]1.[P:28]([Cl:29])([O:30][CH2:31][CH3:32])([O:33][CH2:34][CH3:35])=[O:36]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([CH:9]=[CH:10][C:11](=[O:13])[N:41]([CH2:40][CH2:39][N:38]([CH3:37])[CH3:49])[CH:42]2[CH2:43][CH2:44][CH:45]([CH3:48])[CH2:46][CH2:47]2)[cH:14][cH:15]1