HRID300611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID853605

4-{[(tert-Butoxycarbonyl)amino]methyl}benzoic acid

C13H17NO4

HCID58558267

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2nonc2-c2noc(=O)n2-c2cccc(Cl)c2)cc1

HCID58558288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79eebfaadbc143588f49d054f11f1b9b
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

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