HRID288489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

结构：Cc1ccc(C(=O)O)cc1-c1ccn2c(-c3ccccc3Cl)nnc2c1

HCID59261363

3-[3-(2-Chlorophenyl)-1,2,4-triazolo[4,3-a]pyridin-7-yl]-4-methylbenzoic acid

C20H14ClN3O2

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1-c1ccn2c(-c3ccccc3Cl)nnc2c1

HCID59261376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b59f48b4c67c4c5cbebdec685cf940fe
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

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