Acetate → HCID 136471414, compound

HRID 2161450Notes

Reaction equation

HRID 2161450 reaction equation
[CH3:23][C:24](=[O:25])[O-:26].[CH3:35][C:36](=[O:37])[OH:38].[CH3:39][OH:40].[Cl:1][c:2]1[c:3]([C:8]2=[N:14][CH:13]([CH3:15])[C:12](=[O:16])[NH:11][c:10]3[c:9]2[cH:19][cH:18][s:17]3)[cH:4][cH:5][cH:6][cH:7]1.[I:20][Cl:21].[NH4+:32].[Na+:22].[Na+:31].[OH-:33].[OH2:34].[S:27](=[O:28])([OH:29])[O-:30]>>[Cl:1][c:2]1[c:3]([C:8]2=[N:14][CH:13]([CH3:15])[C:12](=[O:16])[NH:11][c:10]3[c:9]2[cH:19][c:18]([I:20])[s:17]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

11

Reactant 10

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 24640Iodine chlorideHCID 104748BisulfiteHCID 178432482HCID 178432482, compound

Product 1

HCID 136471414HCID 136471414, compound

Sources & evidence

ORD record
ord-65301233ffba4da890f916762e360551
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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