Acetate → HCID 57230200, compound

HRID 1566871Notes

Reaction equation

HRID 1566871 reaction equation
[CH3:31][C:32](=[O:33])[O-:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:8][O:9][c:10]1[cH:11][c:12]([CH:18]=[CH:19][C:20]([CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])=[O:29])[cH:13][cH:14][c:15]1[O:16][CH3:17].[NH4+:30].[OH2:48].[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:20]([CH:19]=[CH:18][c:12]1[cH:11][c:10]([O:9][CH3:8])[c:15]([O:16][CH3:17])[cH:14][cH:13]1)[CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28]

Participants

8

Reactant 7

HCID 175AcetateHCID 223AmmoniumHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 1201546RhodanineHCID 54383002HCID 54383002, compound

Product 1

HCID 57230200HCID 57230200, compound

Sources & evidence

ORD record
ord-8d9c6794906b492ca5fdf4441435cfe4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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