HRID93094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID57149538

3-(2-Cyanopropan-2-yl)benzoic acid

C11H11NO2

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)oc3c2)c1

HCID67312021

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)oc4c3)c2)c1

HCID58349036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daedebe7cb8949b9998a20b7bcdba81e
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:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]1.[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:49][N:50]([CH3:51])[c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1.[NH2:26][c:27]1[cH:28][c:29]([O:30][c:31]2[cH:32][c:33]3[c:34]([n:35][c:36]([NH:38][C:39](=[O:40])[CH:41]4[CH2:42][CH2:43]4)[o:37]3)[cH:44][cH:45]2)[cH:46][cH:47][cH:48]1.[S:15]([Cl:16])([Cl:17])=[O:18].[cH:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:11])[NH:26][c:27]2[cH:28][c:29]([O:30][c:31]3[cH:32][c:33]4[c:34]([n:35][c:36]([NH:38][C:39](=[O:40])[CH:41]5[CH2:42][CH2:43]5)[o:37]4)[cH:44][cH:45]3)[cH:46][cH:47][cH:48]2)[cH:12][cH:13][cH:14]1