HRID119859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID90265

Methyl p-tolylacetate

C10H12O2

HCID3690024

5-{[(Benzyloxy)carbonyl]amino}pentanoic acid

C13H17NO4

PRODUCTS

生成物

结构：COC(=O)C(C(=O)CCCCNC(=O)OCc1ccccc1)c1ccc(C)cc1

HCID53815838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23c5bc671fb84e75aaf4479febe13ece
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:19]([n:20]1[cH:21][cH:22][n:23][cH:24]1)([n:25]1[cH:26][cH:27][n:28][cH:29]1)=[O:30].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:17])[OH:18].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH:31]([NH:32][CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl-:50].[NH4+:51].[c:38]1([CH3:49])[cH:39][cH:40][c:41]([CH2:44][C:45](=[O:46])[O:47][CH3:48])[cH:42][cH:43]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:18])[CH:44]([c:41]1[cH:40][cH:39][c:38]([CH3:49])[cH:43][cH:42]1)[C:45](=[O:46])[O:47][CH3:48]