HRID1559428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID87736

3,4,5-Trimethoxybenzylamine

C10H15NO3

HCID181649

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

C5H4N4O

结构：Cc1onc2c1c(=O)n(C1CCCC(C(=O)O)C1)c1cnccc21

HCID22170165

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CNC(=O)C2CCCC(n3c(=O)c4c(C)onc4c4ccncc43)C2)cc(OC)c1OC

HCID69652763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3b0e8b41653471d992e03724729fde8
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

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