HRID203068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID2734060

未命名化合物

HCID21097530

N-[4-(aminomethyl)-2-methylphenyl]methane-sulfonamide

C9H14N2O2S

HCID68780684

未命名化合物

PRODUCTS

产物

HCID68782310

3-[2-butan-2-yloxy-6-(trifluoromethyl)pyridin-3-yl]-N-[[4-(methanesulfonamido)-3-methylphenyl]methyl]prop-2-enamide

C22H26F3N3O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-78576b8c1334485089dd3e5dfb96aae1
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

[CH3:18][O:19][c:20]1[n:21][c:22]([O:23][CH3:24])[n:25][c:26]([N+:27]2([CH3:28])[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[n:34]1.[CH:35]([CH3:36])([CH2:37][CH3:38])[O:39][c:40]1[n:41][c:42]([C:51]([F:52])([F:53])[F:54])[cH:43][cH:44][c:45]1[CH:46]=[CH:47][C:48](=[O:49])[OH:50].[Cl-:17].[ClH:15].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([CH3:14])[c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH3:13])[cH:7][cH:8]1.[OH2:16]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([CH3:14])[c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH3:13])[cH:7][cH:8]1)[C:48]([CH:47]=[CH:46][c:45]1[c:40]([O:39][CH:35]([CH3:36])[CH2:37][CH3:38])[n:41][c:42]([C:51]([F:52])([F:53])[F:54])[cH:43][cH:44]1)=[O:49]