HRID102580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7918

Acetic anhydride

C4H6O3

结构：Nc1ccc2c(ccn2-c2ccc(NC(=O)N(O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1

HCID23155047

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc2c(ccn2-c2ccc(NC(=O)N(O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)c1

HCID23155214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90f1dbc1dbb24e1ebcd30d944c0827f9
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

[CH3:34][C:35](=[O:36])[O:37][C:38](=[O:39])[CH3:40].[ClH:1].[NH2:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][n:8](-[c:12]3[cH:13][cH:14][c:15]([NH:18][C:19](=[O:20])[N:21]([OH:22])[c:23]4[cH:24][c:25]([C:30]([F:31])([F:32])[F:33])[c:26]([Cl:29])[cH:27][cH:28]4)[cH:16][cH:17]3)[c:9]2[cH:10][cH:11]1>>[NH:2]([c:3]1[cH:4][c:5]2[cH:6][cH:7][n:8](-[c:12]3[cH:13][cH:14][c:15]([NH:18][C:19](=[O:20])[N:21]([OH:22])[c:23]4[cH:24][c:25]([C:30]([F:31])([F:32])[F:33])[c:26]([Cl:29])[cH:27][cH:28]4)[cH:16][cH:17]3)[c:9]2[cH:10][cH:11]1)[C:35]([CH3:34])=[O:36]