HRID112080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID4113

Methoxyamine

CH5NO

HCID2795374

5-Chloroindole-3-carboxaldehyde

C9H6ClNO

HCID12676268

4-Acetyl-1-methyl-1H-pyrrole-2-carbaldehyde

C8H9NO2

HCID19356084

未命名化合物

结构：CC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Cl)cc23)n(C)c1

HCID58981140

未命名化合物

PRODUCTS

生成物

结构：CON=C(C)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Cl)cc23)n(C)c1

HCID72479941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfb2bb29c19e4dda8438223b05ed179c
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

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