HRID1147904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID10057801

2-(4-aminophenyl)-2-methylpropanenitrile

C10H12N2

结构：O=C(O)c1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57505481

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#N)c1ccc(NC(=O)c2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)cc1

HCID57505722

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a816458161104f7d9fe1d9815fac9af1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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