HRID1226286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID58739241

Methyl 1-(triphenylmethyl)-1H-1,2,4-triazole-3-carboxylate

C23H19N3O2

结构：CCOC(=O)CCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID66769033

未命名化合物

PRODUCTS

生成物

结构：OCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID13471694

1-(Triphenylmethyl)-1H-1,2,4-triazole-3-methanol

C22H19N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-445deffe6bd242ae891a198ac834f183
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

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