HRID288312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CN(CC(F)(F)F)C(=O)NC1CCC(n2nnc3cnc4c(ccn4S(=O)(=O)c4ccccc4)c32)C1

HCID67351994

未命名化合物

PRODUCTS

生成物

结构：CN(CC(F)(F)F)C(=O)NC1CCC(n2nnc3cnc4[nH]ccc4c32)C1

HCID178483996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5493d459ccf54dae8d4956dc35d0fd65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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