HRID147119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID11171316

4-Pyridinepentanoic acid

C10H13NO2

HCID12136646

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC12CC3CC(CC(C3)C1)C2)C(=O)CCCCc1ccncc1

HCID12136647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e96c2698e6df4666ab0da738f69a0cb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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