HRID1218927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID10728788

1-phenethylpiperidin-4-amine

C13H20N2

HCID14719836

6-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid

C9H6ClNO4

PRODUCTS

生成物

结构：O=C1COc2c(cc(Cl)cc2C(=O)NC2CCN(CCc3ccccc3)CC2)N1

HCID14719842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae7bccb8b8784cafbdd446cba14424ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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