HRID153515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7590

Benzeneacetic acid, ethyl ester

C10H12O2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

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

C7H6N4O

HCID545848

5-[(tert-Butoxycarbonyl)amino]pentanoic acid

C10H19NO4

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)CCCCNC(=O)OC(C)(C)C)c1ccccc1

HCID54117513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a685270ab58747e2933793e7e19598c9
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:16]([n:17]1[cH:18][cH:19][n:20][cH:21]1)([n:22]1[cH:23][cH:24][n:25][cH:26]1)=[O:27].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13](=[O:14])[OH:15].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH:28]([NH:29][CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl-:47].[NH4+:48].[c:35]1([CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13](=[O:15])[CH:41]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[C:42](=[O:43])[O:44][CH2:45][CH3:46]