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

HRID 678112Notes

Reaction equation

HRID 678112 reaction equation
[C:43](=[O:44])([OH:45])[O-:46].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:48][CH2:49][Cl:50].[Na+:41].[Na+:42].[Na+:47].[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[s:22][c:23]([CH3:26])[cH:24][cH:25]4)[CH2:16][CH2:17][O:18]3)[CH2:27][CH2:28]2)[s:7][cH:8]1.[OH:29][C:30]([C:31]([F:32])([F:33])[F:34])=[O:35].[S:36]([O-:37])([O-:38])(=[O:39])=[S:40]>>[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[s:22][c:23]([CH3:26])[cH:24][cH:25]4)[CH2:16][CH2:17][O:18]3)[CH2:27][CH2:28]2)[s:7][cH:8]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 57989018(9-((4-(2-Hydroxyethyl)thiophen-2-yl)methyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(5-methylthiophen-2-yl)methanone

Product 1

HCID 579891582-(5-((4-(5-Methylthiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)thiophen-3-yl)acetaldehyde

Sources & evidence

ORD record
ord-2d6e312b714143cbbf52a350e3319ebf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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