HRID1559484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID12082

Benzoic acid, 4-amino-, methyl ester

C8H9NO2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

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

C5H4N4O

HCID57817723

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=O)CCCCCCCCCCCCCCC(=O)OC(C)(C)C)cc1

HCID58079483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51b4363555c6482294fb5d839d896415
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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].[CH3:57][N:58]1[CH2:59][CH2:60][CH2:61][C:62]1=[O:63].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl-:55].[NH2:44][c:45]1[cH:46][cH:47][c:48]([C:49](=[O:50])[O:51][CH3:52])[cH:53][cH:54]1.[Na+:56].[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])[NH:44][c:45]1[cH:46][cH:47][c:48]([C:49](=[O:50])[O:51][CH3:52])[cH:53][cH:54]1)=[O:24]