Bicarbonate Ion → 3-Fluoro-5-[[4-[(2-methyl-4-thiazolyl)carbonyl]-1-oxa-4,9-diazaspiro[5.5]undec-9-yl]methyl]benzeneacetaldehyde

HRID 164071Notes

Reaction equation

HRID 164071 reaction equation
[C:45](=[O:46])([OH:47])[O-:48].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:50][CH2:51][Cl:52].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:8][c:9]1[cH:10][c:11]([CH2:12][N:13]2[CH2:14][CH2:15][C:16]3([CH2:17][N:18]([C:22](=[O:23])[c:24]4[n:25][c:26]([CH3:29])[s:27][cH:28]4)[CH2:19][CH2:20][O:21]3)[CH2:30][CH2:31]2)[cH:32][c:33]([CH2:35][CH2:36][OH:37])[cH:34]1.[Na+:43].[Na+:44].[Na+:49].[S:38]([O-:39])([O-:40])(=[O:41])=[S:42]>>[F:8][c:9]1[cH:10][c:11]([CH2:12][N:13]2[CH2:14][CH2:15][C:16]3([CH2:17][N:18]([C:22](=[O:23])[c:24]4[n:25][c:26]([CH3:29])[s:27][cH:28]4)[CH2:19][CH2:20][O:21]3)[CH2:30][CH2:31]2)[cH:32][c:33]([CH2:35][CH:36]=[O:37])[cH:34]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 46240300HCID 46240300, compound

Product 1

HCID 579893163-Fluoro-5-[[4-[(2-methyl-4-thiazolyl)carbonyl]-1-oxa-4,9-diazaspiro[5.5]undec-9-yl]methyl]benzeneacetaldehyde

Sources & evidence

ORD record
ord-8f8c8db098044bac9a1518e8316d7248
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…