HRID1129762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2733206

tert-Butyl N-(2-hydroxyethyl)carbamate

C7H15NO3

结构：O=C(O)COc1ccc(CCCCNC(=O)OCc2ccccc2)cc1

HCID22054455

[4-(4-{[(Benzyloxy)carbonyl]amino}butyl)phenoxy]acetic acid

C20H23NO5

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCOC(=O)COc1ccc(CCCCNC(=O)OCc2ccccc2)cc1

HCID67350250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5956938f69e74f32be69dfcf7ab6a208
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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