HRID295552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID71245257

未命名化合物

结构：CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(Cc1c[nH]cn1)C(=O)O

HCID178446783

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)NC(CO)C(=O)OC

HCID178446782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e530454869334390ae8501c9c6476260
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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