Bicarbonate Ion → 2-(5-((4-(2-Isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)thiophen-3-yl)acetaldehyde

HRID 178574Notes

Reaction equation

HRID 178574 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].[Na+:43].[Na+:44].[Na+:49].[OH:1][CH2:2][CH2:3][c:4]1[cH:5][c:6]([CH2:9][N:10]2[CH2:11][CH2:12][C:13]3([CH2:14][N:15]([C:19](=[O:20])[c:21]4[n:22][c:23]([CH:26]([CH3:27])[CH3:28])[s:24][cH:25]4)[CH2:16][CH2:17][O:18]3)[CH2:29][CH2:30]2)[s:7][cH:8]1.[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37].[S:38]([O-:39])([O-:40])(=[O:41])=[S:42]>>[O:1]=[CH:2][CH2:3][c:4]1[cH:5][c:6]([CH2:9][N:10]2[CH2:11][CH2:12][C:13]3([CH2:14][N:15]([C:19](=[O:20])[c:21]4[n:22][c:23]([CH:26]([CH3:27])[CH3:28])[s:24][cH:25]4)[CH2:16][CH2:17][O:18]3)[CH2:29][CH2:30]2)[s:7][cH:8]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 57989020(9-((4-(2-Hydroxyethyl)thiophen-2-yl)methyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-isopropylthiazol-4-yl)methanone

Product 1

HCID 579889852-(5-((4-(2-Isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)thiophen-3-yl)acetaldehyde

Sources & evidence

ORD record
ord-5779b366a09d4a83a1f672893600d61b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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