HRID105832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID14284

4-(Dimethylamino)pyridine

C7H10N2

HCID15908

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

C8H17N3

HCID79396

4-tert-Butylcyclohexylamine

C10H21N

HCID58244395

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

C19H17ClO6

PRODUCTS

产物

HCID67080671

Ethyl 7-(4-(4-tert-butylcyclohexylcarbamoyl)phenoxy)-6-chlorochroman-4-carboxylate

C29H36ClNO5

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-73a4f95f89b24520b17a7fb9c85a74e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:27]([CH3:28])([CH3:29])([CH3:30])[CH:31]1[CH2:32][CH2:33][CH:34]([NH2:37])[CH2:35][CH2:36]1.[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:50][N:51]([CH3:52])[c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1.[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[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:38].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[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:19])[NH:37][CH:34]3[CH2:33][CH2:32][CH:31]([C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:36][CH2:35]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]