HRID178651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1ccc(Oc2ccc3nc(N)sc3c2)cc1NC(=O)c1cccc(C(C)(C)C#N)c1

HCID86646002

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2ccc(Oc3ccc(C)c(NC(=O)c4cccc(C(C)(C)C#N)c4)c3)cc2s1

HCID58349026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dace3a633fb407bb56ef72a441408ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:39][C:40]([Cl:41])=[O:42].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[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][cH:14][c:15]([CH3:32])[c:16]([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:17]1)[cH:10]2.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]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][cH:14][c:15]([CH3:32])[c:16]([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:17]1)[cH:10]2)[C:40]([CH3:39])=[O:42]