HRID679381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3155249

4-(5-methyl-1H-tetrazol-1-yl)benzoic acid

C9H8N4O2

结构：CN(C(=O)N(C)C1CNCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID123775016

未命名化合物

PRODUCTS

生成物

结构：Cc1nnnn1-c1ccc(C(=O)N2CC(c3ccc(F)cc3)C(N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cc1

HCID123210231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40173f58fdc645feade4ee75bde36fb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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