HRID2139863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(N)sc4c3)c2)c1

HCID57387331

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3)c2)c1

HCID25177623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d526dd4142eb433c92906d2f6c0843c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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