Bicarbonate Ion → 2-(4-Fluoro-3-((4-(2-isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)phenyl)acetaldehyde

HRID 295790Notes

Reaction equation

HRID 295790 reaction equation
[C:47](=[O:48])([OH:49])[O-:50].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:52][CH2:53][Cl:54].[F:1][c:2]1[c:3]([CH2:4][N:5]2[CH2:6][CH2:7][C:8]3([CH2:9][N:10]([C:14](=[O:15])[c:16]4[n:17][c:18]([CH:21]([CH3:22])[CH3:23])[s:19][cH:20]4)[CH2:11][CH2:12][O:13]3)[CH2:24][CH2:25]2)[cH:26][c:27]([CH2:30][CH2:31][OH:32])[cH:28][cH:29]1.[Na+:45].[Na+:46].[Na+:51].[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39].[S:40]([O-:41])([O-:42])(=[O:43])=[S:44]>>[F:1][c:2]1[c:3]([CH2:4][N:5]2[CH2:6][CH2:7][C:8]3([CH2:9][N:10]([C:14](=[O:15])[c:16]4[n:17][c:18]([CH:21]([CH3:22])[CH3:23])[s:19][cH:20]4)[CH2:11][CH2:12][O:13]3)[CH2:24][CH2:25]2)[cH:26][c:27]([CH2:30][CH:31]=[O:32])[cH:28][cH:29]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 57989245(9-(2-Fluoro-5-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

Product 1

HCID 579892942-(4-Fluoro-3-((4-(2-isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)phenyl)acetaldehyde

Sources & evidence

ORD record
ord-d0f4a0ca586e4585bf338cd30c60c7cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…