Acetic Acid → HCID 66834291, compound

HRID 114084Notes

Reaction equation

HRID 114084 reaction equation
[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][OH:42].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6](-[c:9]3[c:10]([CH2:23][CH2:24][CH3:25])[n:11][c:12]([O:15][c:16]4[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]4)[cH:13][cH:14]3)[n:7][o:8]2)[cH:26][c:27]1[O:28][CH:29]([C:30](=[O:31])[O:32][CH3:33])[CH3:34].[Na+:36].[OH-:35]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6](-[c:9]3[c:10]([CH2:23][CH2:24][CH3:25])[n:11][c:12]([O:15][c:16]4[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]4)[cH:13][cH:14]3)[n:7][o:8]2)[cH:26][c:27]1[O:28][CH:29]([C:30](=[O:31])[OH:32])[CH3:34]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 178440200HCID 178440200, compound

Product 1

HCID 66834291HCID 66834291, compound

Sources & evidence

ORD record
ord-bc7130ed15c7447686bf7dc9bd91c061
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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