Acetate → 2,5-Dioctyladipic anhydride

HRID 119958

Reaction equation

HRID 119958 reaction equation
[C:1]1(=[O:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][CH2:9]1.[C:36]([O-:37])(=[O:38])[CH3:39].[C:41]([O-:42])(=[O:43])[CH3:44].[CH2:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17].[CH2:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[CH:27]1[C:28](=[O:29])[O:30][C:31](=[O:35])[CH2:32][CH2:33][CH2:34]1.[CH3:46][C:47](=[O:48])[OH:49].[Co+2:45].[Mn+2:40].[O:18]>>[CH2:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH:32]1[C:31](=[O:35])[O:30][C:28](=[O:29])[CH:27]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[CH2:34][CH2:33]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 176Acetic AcidHCID 962WaterHCID 81251-OcteneHCID 27854Manganese(2+)HCID 104729Cobalt(2+)HCID 567658Adipic anhydrideHCID 120841292-Octyladipic anhydride

Product 1

HCID 865863762,5-Dioctyladipic anhydride

Sources & evidence

ORD record
ord-063bb52373784e82a97852cdf2786092
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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