HRID119373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10824

3-Methoxyaniline

C7H9NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：O=C(O)Cn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1

HCID68996013

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(NC(=O)Cn2cc(-c3ccnc4[nH]ccc34)c(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)c1

HCID58980072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a89452bd63d64622843c803acff67022
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

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