HRID289828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7965

Cyclohexylamine

C6H13N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID15707919

1-Benzyl-1H-1,2,4-triazole-3-carboxylic acid

C10H9N3O2

PRODUCTS

生成物

HCID67023585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3bf458faa734169ae6b337cb30dd322
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]([C:13](=[O:14])[OH:15])[n:11][cH:12]1.[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[ClH:56].[NH2:16][CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]([C:13](=[O:15])[NH:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[n:11][cH:12]1