HRID1206078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID4546342

2-tert-Butoxycarbonylamino-3-pyridin-2-yl-propionic acid

C13H18N2O4

HCID18753686

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccccn1)C(=O)NCC(=O)c1ccc(N2CCOCC2)cc1

HCID178453267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1992bcba9b5f4388a19a647a84bf4b41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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