HRID802564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID637602

6-[(tert-Butoxycarbonyl)amino]hexanoic acid

C11H21NO4

结构：CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(SC(C)(C)C)C1

HCID67232768

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCCCC(=O)N1CC(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(SC(C)(C)C)C1

HCID67233108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd3d39c441ea4219bca28b175e457d68
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:2](=[O:3])([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])[N:9]1[CH2:10][CH:11]([NH:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([O:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:27][cH:28]2)[CH:12]([S:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:13]1.[C:54]([CH3:55])([CH3:56])([CH3:57])[O:58][C:59](=[O:60])[NH:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][C:67]([OH:68])=[O:69].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:85][CH2:86][O:87][C:88](=[O:89])[CH3:90].[CH:70]1([N:71]=[C:72]=[N:73][CH:74]2[CH2:75][CH2:76][CH2:77][CH2:78][CH2:79]2)[CH2:80][CH2:81][CH2:82][CH2:83][CH2:84]1.[ClH:1].[OH2:53].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[C:2](=[O:3])([N:9]1[CH2:10][CH:11]([NH:19][S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([O:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:27][cH:28]2)[CH:12]([S:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:13]1)[CH2:66][CH2:65][CH2:64][CH2:63][CH2:62][NH:61][C:59]([O:58][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:60]