Dimethylformamide → (9-(2-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropyl-5-methylthiazol-4-yl)methanone

HRID 168537Notes

Reaction equation

HRID 168537 reaction equation
[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH:25]([CH3:26])([CH3:27])[c:28]1[s:29][c:30]([CH3:36])[c:31]([C:33](=[O:34])[OH:35])[n:32]1.[O:37]1[CH2:38][CH2:39][NH:40][CH2:41][C:42]12[CH2:43][CH2:44][N:45]([CH2:48][c:49]1[c:50]([F:58])[c:51]([CH2:55][CH2:56][OH:57])[cH:52][cH:53][cH:54]1)[CH2:46][CH2:47]2.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[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>>[CH:25]([CH3:26])([CH3:27])[c:28]1[s:29][c:30]([CH3:36])[c:31]([C:33](=[O:35])[N:40]2[CH2:39][CH2:38][O:37][C:42]3([CH2:41]2)[CH2:43][CH2:44][N:45]([CH2:48][c:49]2[c:50]([F:58])[c:51]([CH2:55][CH2:56][OH:57])[cH:52][cH:53][cH:54]2)[CH2:46][CH2:47]3)[n:32]1

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 579891492-Isopropyl-5-methylthiazole-4-carboxylic acidHCID 579891872-(3-(1-Oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-2-fluorophenyl)ethanol

Product 1

HCID 57989120(9-(2-Fluoro-3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropyl-5-methylthiazol-4-yl)methanone

Sources & evidence

ORD record
ord-165a6334f2ce47b999fc11d299209b54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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