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

HRID 961516Notes

Reaction equation

HRID 961516 reaction equation
[C:45](=[O:46])([OH:47])[O-:48].[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][O:13][C:14]3([CH2:15]2)[CH2:16][CH2:17][N:18]([CH2:21][c:22]2[cH:23][c:24]([CH2:28][CH2:29][OH:30])[cH:25][cH:26][cH:27]2)[CH2:19][CH2:20]3)[cH:6][s:7]1.[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:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37].[S:38]([O-:39])([O-:40])(=[O:41])=[S:42]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][O:13][C:14]3([CH2:15]2)[CH2:16][CH2:17][N:18]([CH2:21][c:22]2[cH:23][c:24]([CH2:28][CH:29]=[O:30])[cH:25][cH:26][cH:27]2)[CH2:19][CH2:20]3)[cH:6][s:7]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 57989056(5-Ethylthiophen-3-yl)(9-(3-(2-hydroxyethyl)benzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Product 1

HCID 579893622-(3-((4-(5-Ethylthiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)phenyl)acetaldehyde

Sources & evidence

ORD record
ord-573e5311f12046f380a056c5faa0bb69
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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