HRID2157009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID999

Phenylacetic acid

C8H8O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

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)Cc2ccccc2)n1

HCID66694989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee138a4673734397bb2e51ad0059dbf1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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.[CH3:41][N:42]([CH3:43])[CH2:44][CH2:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH3:51].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:64].[OH:21][C:22](=[O:23])[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[OH:31][n:32]1[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]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:22](=[O:21])[CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[s:7][cH:8]1