Acetic Acid → Acetic Acid

HRID 1536357Notes

Reaction equation

HRID 1536357 reaction equation
[Al+3:50].[C:1]([CH3:2])(=[O:3])[OH:4].[C:5]([CH3:6])(=[O:7])[OH:8].[H-:49].[H-:52].[H-:53].[H-:54].[Li+:51].[NH2:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[n:16]([CH:36]1[CH2:37][CH2:38][CH:39]([N:42]3[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]3)[CH2:40][CH2:41]1)[n:17][c:18]2-[c:19]1[cH:20][cH:21][c:22]([NH:25][C:26]([CH2:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)=[O:35])[cH:23][cH:24]1.[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]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:36]1[CH2:37][CH2:38][CH:39]([N:42]3[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]3)[CH2:40][CH2:41]1)[n:17][c:18]2-[c:19]1[cH:20][cH:21][c:22]([NH:25][CH2:26][CH2:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:23][cH:24]1

Participants

8

Reactant 6

HCID 176Acetic Acid2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 20817072HCID 20817072, compound

Product 2

HCID 176Acetic Acid2×HCID 20816970HCID 20816970, compound

Sources & evidence

ORD record
ord-b2904997b1c04ed4aa334b3b18518e2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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