HRID1235918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID795

Imidazole

C3H4N2

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-061c9b7a6c30416f9bea6a74565c3988
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[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.[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.[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]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