HRID189989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

HOAt

C5H4N4O

HCID412434

未命名化合物

HCID58244395

4-(6-Chloro-4-(ethoxycarbonyl)chroman-7-yloxy)benzoic acid

C19H17ClO6

PRODUCTS

产物

HCID67080726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-294aaf97347240e1b3232b295afc1f4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH:44]([CH3:45])[CH3:46])[CH3:47].[CH2:59]([N:60]=[C:61]=[N:62][CH2:63][CH2:64][CH2:65][N:66]([CH3:67])[CH3:68])[CH3:69].[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1)[O:8][CH2:7][CH2:6][CH:5]2[C:22](=[O:23])[O:24][CH2:25][CH3:26].[ClH:27].[ClH:58].[NH2:28][CH2:29][CH:30]([OH:31])[c:32]1[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[n:48]1[c:49]2[c:50]([n:51][cH:52][cH:53][cH:54]2)[n:55]([OH:56])[n:57]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][c:11]1[O:12][c:13]1[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:28][CH2:29][CH:30]([OH:31])[c:32]3[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]3)[cH:20][cH:21]1)[O:8][CH2:7][CH2:6][CH:5]2[C:22](=[O:23])[O:24][CH2:25][CH3:26]