Acetic Acid → HCID 66766833, compound

HRID 144197Notes

Reaction equation

HRID 144197 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([O:21][c:22]2[c:23]([F:31])[cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][cH:27]2)[cH:8][c:9]2[cH:10][n:11][n:12]([CH:15]3[O:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[c:13]2[cH:14]1.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[CH3:40][C:41](=[O:42])[OH:43].[CH3:49][OH:50].[Li+:33].[OH-:32].[OH2:51]>>[O:3]=[C:4]([OH:5])[c:6]1[c:7]([O:21][c:22]2[c:23]([F:31])[cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][cH:27]2)[cH:8][c:9]2[cH:10][n:11][n:12]([CH:15]3[O:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[c:13]2[cH:14]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 66767080HCID 66767080, compound

Product 1

HCID 66766833HCID 66766833, compound

Sources & evidence

ORD record
ord-efe7bc2658b841c79d6c0b46b8e395d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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