N-methyl-2-pyrrolidone → HCID 86670426, compound

HRID 1230685Notes

Reaction equation

HRID 1230685 reaction equation
[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[CH:20]([N:21]([CH:22]([CH3:23])[CH3:24])[CH2:25][CH3:26])([CH3:27])[CH3:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH:13]([C:17]#[C:18][CH3:19])[NH:14][CH2:15][CH2:16]2)[cH:6][n:7]1.[Cl:29][c:30]1[n:31][cH:32][c:33]([C:36]([C:37]([F:38])([F:39])[F:40])([CH3:41])[OH:42])[cH:34][n:35]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH:13]([C:17]#[C:18][CH3:19])[N:14]([c:30]3[n:31][cH:32][c:33]([C:36]([C:37]([F:38])([F:39])[F:40])([CH3:41])[OH:42])[cH:34][n:35]3)[CH2:15][CH2:16]2)[cH:6][n:7]1

Participants

5

Reactant 4

HCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 772307671-((6-Chloro-3-pyridinyl)sulfonyl)-3-(1-propyn-1-yl)piperazineHCID 866703602-(2-Chloropyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol

Product 1

HCID 86670426HCID 86670426, compound

Sources & evidence

ORD record
ord-e6081115f7984bcb93b1a9aaf1d490a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…