HRID664588

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

HCID55049154

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1

HCID57875807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd246d73cc57473d96dd6cd3a7179693
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:51]([CH3:52])([CH3:53])([CH3:54])[O:55][C:56](=[O: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:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:50].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1.[c:20]1(-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:21][cH:22][c:23]([NH:26][C:27]([CH2:28][C:29](=[O:30])[OH:31])=[O:32])[cH:24][cH:25]1>>[c:20]1(-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:21][cH:22][c:23]([NH:26][C:27]([CH2:28][C:29](=[O:31])[N:61]2[CH2:60][CH2:59][N:58]([C:56]([O:55][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:57])[CH2:63][CH2:62]2)=[O:32])[cH:24][cH:25]1