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

HRID 295393Notes

Reaction equation

HRID 295393 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[s:6][cH:7][c:8]([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][O:15][C:16]3([CH2:17]2)[CH2:18][CH2:19][N:20]([CH2:23][c:24]2[s:25][cH:26][c:27]([CH2:29][CH2:30][OH:31])[cH:28]2)[CH2:21][CH2:22]3)[n:9]1.[C:46](=[O:47])([OH:48])[O-:49].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:51][CH2:52][Cl:53].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[Na+:44].[Na+:45].[Na+:50].[S:39]([O-:40])([O-:41])(=[O:42])=[S:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[s:6][cH:7][c:8]([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][O:15][C:16]3([CH2:17]2)[CH2:18][CH2:19][N:20]([CH2:23][c:24]2[s:25][cH:26][c:27]([CH2:29][CH:30]=[O:31])[cH:28]2)[CH2:21][CH2:22]3)[n:9]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 57989044(2-tert-Butylthiazol-4-yl)(9-((4-(2-hydroxyethyl)thiophen-2-yl)methyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone

Product 1

HCID 579892042-(5-((4-(2-tert-Butylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)thiophen-3-yl)acetaldehyde

Sources & evidence

ORD record
ord-7204522192f24175a76f392d90fd826a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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