HRID934825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID298659

(2-Chlorophenyl)diphenylmethanol

C19H15ClO

HCID23418553

Diphenoxyphosphanolate

C12H10O3P-

PRODUCTS

生成物

结构：Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1

HCID2812

Clotrimazole

C22H17ClN2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e91ff195938445a8245c8a52f9e73d5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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