HRID306721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID192794

Methyl beta-alanate

C4H9NO2

反应SMILES：Cc1cc(OC(CC(C)(C)C)c2ccc(C(=O)O)cc2)cnc1Cl

HCID86615989

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)CCNC(=O)c1ccc(C(CC(C)(C)C)Oc2cnc(Cl)c(C)c2)cc1

HCID86615990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1455c9f0c8de444cbc6c677254c21d40
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

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