HRID143131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID621555

4-Amino-2,6-diphenylphenol

C18H15NO

结构：CC(=O)c1cccc(C(C)=Nc2c(C)cc(C)cc2C)n1

HCID22134468

未命名化合物

结构：CCCOc1c(-c2ccccc2)cc(N=C(C)c2cccc(C(C)=Nc3c(C)cc(C)cc3C)n2)cc1-c1ccccc1

HCID57721389

未命名化合物

PRODUCTS

生成物

结构：CC(=Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)c1cccc(C(C)=Nc2c(C)cc(C)cc2C)n1

HCID136004695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29aaf2fc880c4a1ab832dda4d7c0b60f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:21][c:22]1[cH:23][c:24]([CH3:25])[cH:26][c:27]([CH3:28])[c:29]1[N:30]=[C:31]([c:32]1[cH:33][cH:34][cH:35][c:36]([C:37](=[O:38])[CH3:39])[n:40]1)[CH3:41].[CH3:42][c:43]1[c:44]([N:51]=[C:52]([CH3:53])[c:54]2[n:55][c:56]([C:60]([CH3:61])=[N:62][c:63]3[cH:64][c:65](-[c:79]4[cH:80][cH:81][cH:82][cH:83][cH:84]4)[c:66]([O:75][CH2:76][CH2:77][CH3:78])[c:67](-[c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:68]3)[cH:57][cH:58][cH:59]2)[c:45]([CH3:50])[cH:46][c:47]([CH3:49])[cH:48]1.[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[OH:1][c:2]1[c:3](-[c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[cH:10][c:11]([NH2:12])[cH:13][c:14]1-[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[CH3:42][c:43]1[c:44]([N:51]=[C:52]([CH3:53])[c:54]2[n:55][c:56]([C:60]([CH3:61])=[N:62][c:63]3[cH:64][c:65](-[c:79]4[cH:80][cH:81][cH:82][cH:83][cH:84]4)[c:66]([OH:75])[c:67](-[c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:68]3)[cH:57][cH:58][cH:59]2)[c:45]([CH3:50])[cH:46][c:47]([CH3:49])[cH:48]1