HRID98536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

结构：Cc1cccc2c1N(CC(=O)c1ccccc1[N+](=O)[O-])C(=O)C(NC(=O)OCc1ccccc1)N=C2c1ccccc1F

HCID21701321

未命名化合物

PRODUCTS

生成物

HCID260

Hydrogen Bromide

BrH

结构：Cc1cccc2c1N(CC(=O)c1ccccc1[N+](=O)[O-])C(=O)C(N)N=C2c1ccccc1F

HCID21701349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-052f3a38d88740729e710c8808f6983b
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

[BrH:44].[CH2:1]([O:2][C:3](=[O:4])[NH:11][CH:12]1[C:13](=[O:43])[N:14]([CH2:31][C:32](=[O:33])[c:34]2[c:35]([N+:40](=[O:41])[O-:42])[cH:36][cH:37][cH:38][cH:39]2)[c:15]2[c:16]([cH:26][cH:27][cH:28][c:29]2[CH3:30])[C:17]([c:19]2[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]2)=[N:18]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:46][C:47](=[O:48])[OH:49].[OH2:45]>>[BrH:44].[NH2:11][CH:12]1[C:13](=[O:43])[N:14]([CH2:31][C:32](=[O:33])[c:34]2[c:35]([N+:40](=[O:41])[O-:42])[cH:36][cH:37][cH:38][cH:39]2)[c:15]2[c:16]([cH:26][cH:27][cH:28][c:29]2[CH3:30])[C:17]([c:19]2[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]2)=[N:18]1