HRID1134683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2884867

2-benzyl-malonic acid monoethyl ester

C12H14O4

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

HCID66694979

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccccc1)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)c1nc(CC)cs1

HCID72292956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9b08807e01c475bb282319f56658b9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BrH:1].[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH:28]([C:29](=[O:30])[OH:31])[C:32](=[O:33])[O:34][CH2:35][CH3:36].[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.[CH3:47][N:48]([CH3:49])[CH2:50][CH2:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH3:57].[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]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:29]([CH:28]([CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[C:32](=[O:33])[O:34][CH2:35][CH3:36])=[O:30])[s:7][cH:8]1