HRID960529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID42626124

未命名化合物

结构：CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccc(F)cc2)n1

HCID46196891

Phenyl 3-tert-butyl-1-(4-fluorophenyl)-1h-pyrazol-5-ylcarbamate

C20H20FN3O2

PRODUCTS

生成物

结构：Cn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(F)cc4)cc3)c21

HCID11634929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0392b8f6eaa54548a18f4492c6bd8d74
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

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