Bicarbonate Ion → HCID 178449376, compound

HRID 1219413Notes

Reaction equation

HRID 1219413 reaction equation
[C:44](=[O:45])([O-:46])[OH:47].[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][CH:26]([O:28][S:29]([c:30]2[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]2)(=[O:37])=[O:38])[CH2:27]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Na+:48].[Na+:8].[c:1]1([S-:7])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7][CH:26]2[CH2:25][CH:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 518700Thiophenoxide anionHCID 178427634HCID 178427634, compound

Product 1

HCID 178449376HCID 178449376, compound

Sources & evidence

ORD record
ord-cecf4a66ab874781900dcd27e157d730
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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