HRID307164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID1382041

1-(1H-Imidazol-2-yl)methanamine

C4H7N3

结构：Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID59212686

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1-c1nc(NCc2ncc[nH]2)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID11947854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33cb83b702374252a8cd8bd30db52039
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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