HRID936479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID590220

2-Methyl-2H-indazol-6-amine

C8H9N3

HCID3806114

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID58674945

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)Nc1cc(CNc2ncccc2C(=O)Nc2ccc3cn(C)nc3c2)ccn1

HCID11611709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a21b1b86ed6743b0b3af2a466760fa15
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:46]([CH:47]([CH:48]([C:49]([O-:50])=[O:51])[OH:52])[OH:53])([O-:54])=[O:55].[CH3:12][Al:13]([CH3:14])[CH3:15].[CH3:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:1][n:2]1[n:3][c:4]2[cH:5][c:6]([NH2:11])[cH:7][cH:8][c:9]2[cH:10]1.[CH3:23][O:24][C:25]([c:26]1[c:27]([NH:32][CH2:33][c:34]2[cH:35][c:36]([NH:40][C:41](=[O:42])[NH:43][CH3:44])[n:37][cH:38][cH:39]2)[n:28][cH:29][cH:30][cH:31]1)=[O:45].[K+:56].[Na+:57]>>[CH3:1][n:2]1[n:3][c:4]2[cH:5][c:6]([NH:11][C:25](=[O:24])[c:26]3[c:27]([NH:32][CH2:33][c:34]4[cH:35][c:36]([NH:40][C:41](=[O:42])[NH:43][CH3:44])[n:37][cH:38][cH:39]4)[n:28][cH:29][cH:30][cH:31]3)[cH:7][cH:8][c:9]2[cH:10]1