Dimethylformamide → (9-(2-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-(2,2,2-trifluoroethyl)thiazol-4-yl)methanone

HRID 2162304Notes

Reaction equation

HRID 2162304 reaction equation
[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[F:25][C:26]([CH2:27][c:28]1[s:29][cH:30][c:31]([C:33](=[O:34])[OH:35])[n:32]1)([F:36])[F:37].[O:38]1[CH2:39][CH2:40][NH:41][CH2:42][C:43]12[CH2:44][CH2:45][N:46]([CH2:49][c:50]1[c:51]([F:59])[c:52]([CH2:56][CH2:57][OH:58])[cH:53][cH:54][cH:55]1)[CH2:47][CH2:48]2.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[F:25][C:26]([CH2:27][c:28]1[s:29][cH:30][c:31]([C:33](=[O:35])[N:41]2[CH2:40][CH2:39][O:38][C:43]3([CH2:42]2)[CH2:44][CH2:45][N:46]([CH2:49][c:50]2[c:51]([F:59])[c:52]([CH2:56][CH2:57][OH:58])[cH:53][cH:54][cH:55]2)[CH2:47][CH2:48]3)[n:32]1)([F:36])[F:37]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 579889492-(2,2,2-Trifluoroethyl)-1,3-thiazole-4-carboxylic acidHCID 579891872-(3-(1-Oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-2-fluorophenyl)ethanol

Product 1

HCID 57989017(9-(2-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-(2,2,2-trifluoroethyl)thiazol-4-yl)methanone

Sources & evidence

ORD record
ord-87965af4ba6d48358d3e841d1a679c39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…