HRID206409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID770634

3-tert-butyl-1-phenyl-1H-pyrazol-5-amine

C13H17N3

结构：COC(=O)c1cccc(Oc2ccnc3[nH]c(=O)[nH]c23)c1

HCID45139752

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)c2cccc(Oc3ccnc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1

HCID45139935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4eb4a59e5f9946de8c28a128ec814903
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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