Acetic Acid → HCID 91607331, compound

HRID 1201507Notes

Reaction equation

HRID 1201507 reaction equation
[C:38]([OH:39])(=[O:40])[CH3:41].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:10][cH:11]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28].[CH3:29][CH:30]([CH2:31][AlH:32][CH2:33][CH:34]([CH3:35])[CH3:36])[CH3:37].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[O:2]=[CH:3][CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:10][cH:11]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 1140TolueneHCID 14487Diisobutylaluminum hydrideHCID 67351667HCID 67351667, compound

Product 1

HCID 91607331HCID 91607331, compound

Sources & evidence

ORD record
ord-f0931df29cfc452da3f9ed897d6e4d1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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