HRID152373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

结构：Cc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1COC1CN(C(=O)OC(C)(C)C)C1

HCID59525770

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1COC1CNC1

HCID59526164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70a6c48924284aafa5bb406c47a7130a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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