HRID2332280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID17818

5-Amino-2-methylphenol

C7H9NO

HCID77000

4-Aminophenylacetonitrile

C8H8N2

结构：COc1ccc(Sc2ccc(C(=O)Cl)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1

HCID86615550

未命名化合物

结构：COc1ccc(Sc2ccc(C(=O)Cl)cc2Nc2ncnc3ncccc23)cc1

HCID86615561

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Sc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2Nc2ncnc3ncccc23)cc1

HCID67041030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f29f67f698064e3684e50497ff46095d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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