HRID665685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID13838

Hexamethyldisilazane

C6H19NSi2

HCID81531

Diisopropylethylamine

C8H19N

HCID5058360

3-Hydroxymethylmorpholine

C5H11NO2

HCID86664314

未命名化合物

PRODUCTS

生成物

结构：CCSc1nc(N2CCOCC2CO)cc(C)c1C(=O)NCc1cccc(F)c1

HCID76450126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4eca545a5f5c4699abbe0509af91ea6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:18][Si:19]([CH3:20])([CH3:21])[Cl:22].[CH3:64][N:65]1[CH2:66][CH2:67][CH2:68][C:69]1=[O:70].[CH3:9][Si:10]([CH3:11])([CH3:12])[NH:13][Si:14]([CH3:15])([CH3:16])[CH3:17].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:23][c:24]1[cH:25][c:26]([CH3:44])[c:27]([C:33](=[O:34])[NH:35][CH2:36][c:37]2[cH:38][c:39]([F:43])[cH:40][cH:41][cH:42]2)[c:28]([S:30][CH2:31][CH3:32])[n:29]1.[Na+:58].[O-:54][C:55]([OH:56])=[O:57].[O:1]1[CH2:2][CH:3]([CH2:7][OH:8])[NH:4][CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH:3]([CH2:7][OH:8])[N:4]([c:24]2[cH:25][c:26]([CH3:44])[c:27]([C:33](=[O:34])[NH:35][CH2:36][c:37]3[cH:38][c:39]([F:43])[cH:40][cH:41][cH:42]3)[c:28]([S:30][CH2:31][CH3:32])[n:29]2)[CH2:5][CH2:6]1