HRID1538794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID67112090

未命名化合物

HCID86666579

未命名化合物

PRODUCTS

产物

反应SMILES：O=C1CC(C(F)(F)F)c2c(ncnc2N2CCC(c3nc(CC(F)(F)F)cn3CCO)CC2)N1

HCID87273750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-95bda16198ff41609d9485e939929b27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:54](=[O:55])([OH:56])[O-:57].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[NH:8][C:9](=[O:16])[CH2:10][CH:11]2[C:12]([F:13])([F:14])[F:15].[ClH:17].[ClH:18].[NH:19]1[CH2:20][CH2:21][CH:22]([c:25]2[n:26]([CH2:35][CH2:36][OH:37])[cH:27][c:28]([CH2:30][C:31]([F:32])([F:33])[F:34])[n:29]2)[CH2:23][CH2:24]1.[Na+:58]>>[c:2]1([N:19]2[CH2:20][CH2:21][CH:22]([c:25]3[n:26]([CH2:35][CH2:36][OH:37])[cH:27][c:28]([CH2:30][C:31]([F:32])([F:33])[F:34])[n:29]3)[CH2:23][CH2:24]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[NH:8][C:9](=[O:16])[CH2:10][CH:11]2[C:12]([F:13])([F:14])[F:15]