HRID314912

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

HCID56923529

未命名化合物

HCID57874498

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Nc2ccccc2Br)CC1)c1ccc(Nc2ccccc2)cc1

HCID44235733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eff82edf90694a808d6ef525a71fb95a
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

[Br:54][c:55]1[c:56]([NH:61][CH:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:57][cH:58][cH:59][cH:60]1.[CH3:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[ClH:51].[ClH:52].[ClH:53].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1.[c:1]1([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:18])[N:65]3[CH2:64][CH2:63][CH:62]([NH:61][c:56]4[c:55]([Br:54])[cH:60][cH:59][cH:58][cH:57]4)[CH2:67][CH2:66]3)[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1