Acetic Acid → Acetic Acid

HRID 307344Notes

Reaction equation

HRID 307344 reaction equation
[Al+3:49].[C:1]([CH3:2])(=[O:3])[OH:4].[C:5]([CH3:6])(=[O:7])[OH:8].[H-:48].[H-:51].[H-:52].[H-:53].[Li+:50].[NH2:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[n:16]([CH:35]1[CH2:36][CH2:37][CH:38]([N:41]3[CH2:42][CH2:43][N:44]([CH3:47])[CH2:45][CH2:46]3)[CH2:39][CH2:40]1)[n:17][c:18]2-[c:19]1[cH:20][cH:21][c:22]([NH:25][C:26]([CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[O:34])[cH:23][cH:24]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[C:1]([CH3:2])(=[O:3])[OH:4].[C:5]([CH3:6])(=[O:7])[OH:8].[NH2:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[n:16]([CH:35]1[CH2:36][CH2:37][CH:38]([N:41]3[CH2:42][CH2:43][N:44]([CH3:47])[CH2:45][CH2:46]3)[CH2:39][CH2:40]1)[n:17][c:18]2-[c:19]1[cH:20][cH:21][c:22]([NH:25][CH2:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:23][cH:24]1

Participants

8

Reactant 6

HCID 176Acetic Acid2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 20817071HCID 20817071, compound

Product 2

HCID 176Acetic Acid2×HCID 20816972HCID 20816972, compound

Sources & evidence

ORD record
ord-4675f0e76e5842eba395658f973237fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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