HRID1127510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID53419003

N-(2,4-Difluoro-3-formylphenyl)-1-propanesulfonamide

C10H11F2NO3S

HCID59569601

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(-c4ccc(C(=O)NCC)nc4)cc23)c1F

HCID59569614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3550766961645f1b85e5915a8c33bde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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