HRID175523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID7540

Triphenyl phosphite

C18H15O3P

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID298659

(2-Chlorophenyl)diphenylmethanol

C19H15ClO

PRODUCTS

产物

HCID2812

Clotrimazole

C22H17ClN2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-36b6317d24a34bdaa03a94869824829a
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

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