HRID680817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID2000

Afalanine

C11H13NO3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CCc1csc(C(N)Cc2ccc([N+](=O)[O-])cc2)n1

HCID66694979

未命名化合物

PRODUCTS

生成物

结构：CCc1csc(C(Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(Cc2ccccc2)NC(C)=O)n1

HCID76653721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7e658b225cb45c8a30df6b60d71eb6f
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

[BrH:1].[CH2:2]([CH3:3])[c:4]1[n:5][c:6]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[NH2:20])[s:7][cH:8]1.[CH3:21][C:22](=[O:23])[NH:24][CH:25]([CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[C:33]([OH:34])=[O:35].[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[OH:36][n:37]1[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[CH2:2]([CH3:3])[c:4]1[n:5][c:6]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[NH:20][C:33]([CH:25]([NH:24][C:22]([CH3:21])=[O:23])[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:34])[s:7][cH:8]1