Acetate → HCID 86752513, compound

HRID 166009Notes

Reaction equation

HRID 166009 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26]2)[cH:8][c:9]([C:13]([CH3:14])([CH3:15])[CH3:16])[c:10]1[O:11][CH3:12].[CH3:35][C:36](=[O:37])[O-:38].[CH3:39][C:40](=[O:41])[OH:42].[Na+:34].[S:27]1[C:28](=[S:29])[NH:30][C:31](=[O:32])[CH2:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([CH:23]=[C:33]3[S:27][C:28](=[S:29])[NH:30][C:31]3=[O:32])[cH:25][cH:26]2)[cH:8][c:9]([C:13]([CH3:14])([CH3:15])[CH3:16])[c:10]1[O:11][CH3:12]

Participants

6

Reactant 5

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 1201546RhodanineHCID 18925383HCID 18925383, compound

Product 1

HCID 86752513HCID 86752513, compound

Sources & evidence

ORD record
ord-66b1e21785374cfaa265c02754051331
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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