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

HRID 676924Notes

Reaction equation

HRID 676924 reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:49][CH2:50][Cl:51].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:42].[Na+:43].[Na+:48].[OH:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([CH2:15][N:16]2[CH2:17][CH2:18][C:19]3([CH2:20][N:21]([C:25](=[O:26])[c:27]4[n:28][c:29]([CH3:32])[s:30][cH:31]4)[CH2:22][CH2:23][O:24]3)[CH2:33][CH2:34]2)[cH:35][cH:36]1.[S:37]([O-:38])([O-:39])(=[O:40])=[S:41]>>[O:8]=[CH:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([CH2:15][N:16]2[CH2:17][CH2:18][C:19]3([CH2:20][N:21]([C:25](=[O:26])[c:27]4[n:28][c:29]([CH3:32])[s:30][cH:31]4)[CH2:22][CH2:23][O:24]3)[CH2:33][CH2:34]2)[cH:35][cH:36]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 57988939(9-(4-(2-Hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-methylthiazol-4-yl)methanone

Product 1

HCID 579891222-(4-((4-(2-Methylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)phenyl)acetaldehyde

Sources & evidence

ORD record
ord-d438433c8239460781febc3088e1994a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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