HRID89586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID167693

未命名化合物

结构：O=C(Nc1cc2ccccc2cn1)c1ccccc1NCc1cc[nH]c(=O)c1

HCID69589999

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(CNc2ccccc2C(=O)Nc2cc3ccccc3cn2)cc1=O

HCID69589876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5a42adb36de496aa677be9ae57f1d28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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