HRID2159493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12

HCID176407

4-[2-[7-Amino-2-(2-furyl)[1,2,4]triazolo[2,3-a][1,3,5]triazin-5-ylamino]ethyl]phenol

C16H15N7O2

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Oc1ccc(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)cc1

HCID15730022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41cf68ea47f6492fada251d92b805238
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:33]([C:34]([CH3:35])([CH3:36])[CH3:37])(=[O:38])[Cl:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:50]([OH:51])([CH3:52])[CH3:53].[Cl:47][CH2:48][Cl:49].[NH2:1][c:2]1[n:3][c:4]([NH:16][CH2:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]2)[n:5][c:6]2[n:7]1[n:8][c:9](-[c:11]1[o:12][cH:13][cH:14][cH:15]1)[n:10]2.[OH:26][C:27]([C:28]([F:29])([F:30])[F:31])=[O:32]>>[NH2:1][c:2]1[n:3][c:4]([NH:16][CH2:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][C:33]([C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[cH:23][cH:24]2)[n:5][c:6]2[n:7]1[n:8][c:9](-[c:11]1[o:12][cH:13][cH:14][cH:15]1)[n:10]2