HRID100517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6395

Methanesulfonic acid

CH4O3S

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID152932

1-(Bis(4-fluorophenyl)methyl)piperazine

C17H18F2N2

HCID13016877

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID13105527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05d83d0f4842417ab51cbd3c569dfe19
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

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