Acetate → HCID 57221314, compound

HRID 300714Notes

Reaction equation

HRID 300714 reaction equation
[CH3:25][C:26](=[O:27])[O-:28].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][C:37](=[O:38])[OH:39].[NH4+:24].[O:8]=[C:9]([CH:10]=[CH:11][c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]1)[CH2:21][CH2:22][CH3:23].[S:1]1[C:2](=[S:3])[NH:4][C:5](=[O:6])[CH2:7]1>>[S:1]1[C:2](=[S:3])[NH:4][C:5](=[O:6])[C:7]1=[C:9]([CH:10]=[CH:11][c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]1)[CH2:21][CH2:22][CH3:23]

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 1140TolueneHCID 1201546RhodanineHCID 53796635HCID 53796635, compound

Product 1

HCID 57221314HCID 57221314, compound

Sources & evidence

ORD record
ord-e89adaaaa2904fb5b28d24f3b478356b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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