HRID2337199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID22266154

5-[(tert-Butoxycarbonyl)amino]pyridine-3-carboxylic acid

C11H14N2O4

结构：CC(C)(C)OC(=O)N(Cc1cccc(C2CCNCC2)c1)C(=O)OC(C)(C)C

HCID22266157

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cncc(C(=O)N2CCC(c3cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)CC2)c1

HCID69027928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9d58160578b4335a7b3c9632f8cb900
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][c:17]1[cH:18][c:19]([CH:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:20][cH:21][cH:22]1.[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[NH:36][c:37]1[cH:38][n:39][cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:45]1.[CH3:57][N:58]([CH3:59])[CH2:60][CH2:61][CH2:62][N:63]=[C:64]=[N:65][CH2:66][CH3:67].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[ClH:56].[OH:46][n:47]1[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1.[cH:68]1[cH:69][cH:70][n:71][cH:72][cH:73]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][c:17]1[cH:18][c:19]([CH:23]2[CH2:24][CH2:25][N:26]([C:42]([c:41]3[cH:40][n:39][cH:38][c:37]([NH:36][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[cH:45]3)=[O:43])[CH2:27][CH2:28]2)[cH:20][cH:21][cH:22]1