HRID667644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID545848

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

C10H19NO4

HCID943113

4-(3-aminophenyl)-2H-phthalazin-1-one

C14H11N3O

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCCC(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1

HCID9803072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62c661a587544bd89c2a8cda61643a99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[NH:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31](=[O:32])[OH:33].[CH2:45]([N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54])[CH3:55].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[ClH:44].[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][nH:10][c:11](=[O:18])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:5][cH:6][cH:7]1.[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[n:9][nH:10][c:11](=[O:18])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:5][cH:6][cH:7]1)[C:31]([CH2:30][CH2:29][CH2:28][CH2:27][NH:26][C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])=[O:32]