HRID90089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID57657956

未命名化合物

PRODUCTS

产物

HCID57657927

3-[N-({5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]benzoic acid

C28H23N5O5S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9eab225e00fe490aaf5f31e11c5a3514
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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