HRID1566454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID853605

4-{[(tert-Butoxycarbonyl)amino]methyl}benzoic acid

C13H17NO4

HCID178494636

未命名化合物

PRODUCTS

生成物

结构：COCC1Nc2ccccc2C2C1CCN2C(=O)C1CCCCC1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1

HCID178494640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcca838d75114adda012195ac2d9a43b
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18]1.[CH3:21][O:22][CH2:23][CH:24]1[NH:25][c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[CH:32]2[CH:33]1[CH2:34][CH2:35][N:36]2[C:37](=[O:38])[CH:39]1[CH:40]([NH2:45])[CH2:41][CH2:42][CH2:43][CH2:44]1.[ClH:19].[ClH:20]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[O:16])[NH:45][CH:40]2[CH:39]([C:37]([N:36]3[CH:32]4[c:31]5[c:26]([cH:27][cH:28][cH:29][cH:30]5)[NH:25][CH:24]([CH2:23][O:22][CH3:21])[CH:33]4[CH2:34][CH2:35]3)=[O:38])[CH2:44][CH2:43][CH2:42][CH2:41]2)[cH:17][cH:18]1