HRID1217486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7515

N-Methylaniline

C7H9N

HCID7972

4-Methylmorpholine

C5H11NO

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

HCID969870

2-(benzyloxy)-5-formylbenzoic acid

C15H12O4

PRODUCTS

生成物

结构：CN(C(=O)c1cc(C=O)ccc1OCc1ccccc1)c1ccccc1

HCID22716821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a57a52ba60834a048a0bec0d6a874f79
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

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