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

HRID 1145066Notes

Reaction equation

HRID 1145066 reaction equation
[C:47](=[O:48])([OH:49])[O-:50].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:52][CH2:53][Cl:54].[Na+:45].[Na+:46].[Na+:51].[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[cH:22][cH:23][c:24]5[c:25]([n:26][c:27]([CH3:29])[s:28]5)[cH:30]4)[CH2:16][CH2:17][O:18]3)[CH2:31][CH2:32]2)[s:7][cH:8]1.[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39].[S:40]([O-:41])([O-:42])(=[O:43])=[S:44]>>[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[cH:22][cH:23][c:24]5[c:25]([n:26][c:27]([CH3:29])[s:28]5)[cH:30]4)[CH2:16][CH2:17][O:18]3)[CH2:31][CH2:32]2)[s:7][cH:8]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 57989243(9-((4-(2-Hydroxyethyl)thiophen-2-yl)methyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(2-methylbenzo[d]thiazol-5-yl)methanone

Product 1

HCID 579890032-(5-((4-(2-Methylbenzo[d]thiazole-5-carbonyl)-1-oxa-4,9-diazaspiro[5,5]undecan-9-yl)methyl)thiophen-3-yl)acetaldehyde

Sources & evidence

ORD record
ord-e8e5cabce4be44e782ab13854fe7423d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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