HRID179515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6386

tert-Butyl alcohol

C4H10O

结构：COC(=O)C(C)(C)NC(=O)Cc1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(Cl)c1

HCID67286270

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)NC(C)(C)C(=O)O)cc3Cl)cc2)nc1C(N)=O

HCID49817370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b1a93bf16804eb4b3d4b70d6eb1936c
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

[C:38]([OH:39])([CH3:40])([CH3:41])[CH3:42].[C:3]([NH2:4])(=[O:5])[c:6]1[c:7]([CH3:37])[n:8][c:9]([CH3:36])[c:10](-[c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([Cl:35])[cH:20][c:21]([CH2:24][C:25](=[O:26])[NH:27][C:28]([C:29](=[O:30])[O:31][CH3:32])([CH3:33])[CH3:34])[cH:22][cH:23]3)[cH:16][cH:17]2)[n:11]1.[K+:2].[OH-:1]>>[C:3]([NH2:4])(=[O:5])[c:6]1[c:7]([CH3:37])[n:8][c:9]([CH3:36])[c:10](-[c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([Cl:35])[cH:20][c:21]([CH2:24][C:25](=[O:26])[NH:27][C:28]([C:29](=[O:30])[OH:31])([CH3:33])[CH3:34])[cH:22][cH:23]3)[cH:16][cH:17]2)[n:11]1