Acetic Acid → HCID 53669230, compound

HRID 2149678Notes

Reaction equation

HRID 2149678 reaction equation
[Al+3:2].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[CH3:47][C:48](=[O:49])[OH:50].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[NH2:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][c:17]([S:30]([NH2:31])(=[O:32])=[O:33])[c:18]1[O:19][c:20]1[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]1.[OH2:40]>>[NH2:7][c:8]1[cH:9][c:10]([CH2:11][OH:12])[cH:16][c:17]([S:30]([NH2:31])(=[O:32])=[O:33])[c:18]1[O:19][c:20]1[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 20294539HCID 20294539, compound

Product 1

HCID 53669230HCID 53669230, compound

Sources & evidence

ORD record
ord-11f52c4f7c5948278cb3ac20443d863c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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