HRID102043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID55049154

未命名化合物

HCID57874457

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC2CCN(C(=O)CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c(C)c1

HCID57874404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ceff9120c3ee4d4c9b75352b5a6eb2f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH3:53][c:54]1[c:55]([NH:61][CH:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:56][cH:57][c:58]([CH3:60])[cH:59]1.[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[ClH:50].[ClH:51].[ClH:52].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[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:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([NH:7][C:8]([CH2:9][C:10](=[O:11])[OH:12])=[O:13])[cH:5][cH:6]1>>[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([NH:7][C:8]([CH2:9][C:10](=[O:12])[N:65]2[CH2:64][CH2:63][CH:62]([NH:61][c:55]3[c:54]([CH3:53])[cH:59][c:58]([CH3:60])[cH:57][cH:56]3)[CH2:67][CH2:66]2)=[O:13])[cH:5][cH:6]1