HRID1144974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

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

C5H4N4O

HCID57817723

未命名化合物

HCID59687909

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)N(CCC(=O)OC(C)(C)C)Cc1ccc(C(=O)O)cc1

HCID58079485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3017aa4db09d4196b24a4ff6129f2af9
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21](=[O:22])[OH:23])=[O:24].[C:44]([CH3:45])([CH3:46])([CH3:47])[O:48][C:49](=[O:50])[CH2:51][CH2:52][NH:53][CH2:54][c:55]1[cH:56][cH:57][c:58]([C:59](=[O:60])[OH:61])[cH:62][cH:63]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[OH:25][n:26]1[c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21](=[O:23])[N:53]([CH2:52][CH2:51][C:49]([O:48][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:50])[CH2:54][c:55]1[cH:56][cH:57][c:58]([C:59](=[O:60])[OH:61])[cH:62][cH:63]1)=[O:24]