Acetate → HCID 86752506, compound

HRID 1215571Notes

Reaction equation

HRID 1215571 reaction equation
[CH3:20][C:21](=[O:22])[O-:23].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Na+:19].[S:24]1[C:25](=[S:26])[NH:27][C:28](=[O:29])[CH2:30]1.[c:1]1([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH:15]=[C:30]3[S:24][C:25](=[S:26])[NH:27][C:28]3=[O:29])[cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 8058HexaneHCID 8857Ethyl AcetateHCID 1201546RhodanineHCID 211912554-(3-Phenylpropoxy)benzaldehyde

Product 1

HCID 86752506HCID 86752506, compound

Sources & evidence

ORD record
ord-128fd0d98af44c8689ddd17b54ac6be2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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