HRID194657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID262943

[(biphenyl-4-carbonyl)-amino]-acetic acid

C15H13NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1

HCID31122191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07c439717d7f42678a9ae8f4b02a9e15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:51](=[O:52])([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[N:58]1[CH2:59][CH2:60][NH:61][CH2:62][CH2:63]1.[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:50].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1.[c:10]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:11][cH:12][c:13]([C:16](=[O:17])[NH:18][CH2:19][C:20](=[O:21])[OH:22])[cH:14][cH:15]1>>[c:10]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:11][cH:12][c:13]([C:16](=[O:17])[NH:18][CH2:19][C:20](=[O:22])[N:61]2[CH2:60][CH2:59][N:58]([C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH2:63][CH2:62]2)[cH:14][cH:15]1