HRID314263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11952

Phenacylamine

C8H9NO

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID66839516

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C=CC(=O)NCC(=O)c2ccccc2)ccc1-n1cnc(C)c1

HCID67067350

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8536c8bcc7c548b4a8282c29d3944134
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]([P:2](=[O:3])([O:4][CH2:5][CH3:6])[O:7][CH2:8][CH3:9])#[N:10].[C:42](=[O:43])([OH:44])[O-:45].[CH3:11][O:12][c:13]1[cH:14][c:15]([CH:25]=[CH:26][C:27](=[O:28])[OH:29])[cH:16][cH:17][c:18]1-[n:19]1[cH:20][n:21][c:22]([CH3:24])[cH:23]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[ClH:30].[NH2:31][CH2:32][C:33](=[O:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Na+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:41]>>[CH3:11][O:12][c:13]1[cH:14][c:15]([CH:25]=[CH:26][C:27](=[O:29])[NH:31][CH2:32][C:33](=[O:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:16][cH:17][c:18]1-[n:19]1[cH:20][n:21][c:22]([CH3:24])[cH:23]1