Acetate → Acetic Acid

HRID 1142509Notes

Reaction equation

HRID 1142509 reaction equation
[C:30]([CH3:31])(=[O:32])[O-:33].[C:34]([O-:35])(=[O:36])[CH3:37].[C:38]([O-:39])(=[O:40])[CH3:41].[C:42]([O-:43])(=[O:44])[CH3:45].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[O:19][c:20]1[cH:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29]1.[CH3:47][C:48](=[O:49])[OH:50].[CH3:51][C:52]([O:53][C:54](=[O:55])[CH3:56])=[O:57].[CH3:58][CH2:59][CH2:60][CH:61]([CH3:62])[CH3:63].[OH2:71].[Pb+4:46].[c:64]1([CH3:65])[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[C:30]([CH3:31])(=[O:32])[OH:33].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[O:19][c:20]1[c:21]([OH:36])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29]1

Participants

10

Reactant 8

HCID 175Acetate4×HCID 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 78922-MethylpentaneHCID 7918Acetic AnhydrideHCID 142016802-(Octadecyloxy)naphthaleneHCID 178527690HCID 178527690, compound

Product 2

HCID 176Acetic AcidHCID 19088306HCID 19088306, compound

Sources & evidence

ORD record
ord-f4e1d36a0a614c979fe4cd3e02ead3ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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