HRID196572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID9886

Hexafluorophosphate ion

F6P-

HCID12476

Benzoic acid, 2-amino-5-chloro-

C7H6ClNO2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID21921420

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(Br)cc1)NC(=O)c1cc(Cl)ccc1N

HCID68863095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dc78695a4b64d848ac140687fa1fee4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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