HRID2336275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

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(=O)Nc1nc2ccc(Oc3cccc(NC(=O)c4cccc(C(C)(C)C#N)c4)c3)cc2s1

HCID86655392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bb073aa785e4403a8e59befbd34ddde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:32][C:33]([Cl:34])=[O:35].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[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.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]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:33]([CH3:32])=[O:35]