Acetic Acid → HCID 14262258, compound

HRID 1146693Notes

Reaction equation

HRID 1146693 reaction equation
[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:29][C:30](=[O:31])[OH:32].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH:13](=[CH2:14])[n:15]1[cH:16][n:17][c:18]2[c:19]1[cH:20][cH:21][cH:22][cH:23]2.[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:24](=[O:25])[O:26][CH2:27][CH3:28].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:50]>>[CH:13](=[CH2:14])[n:15]1[c:16]([CH:24]=[O:25])[n:17][c:18]2[c:19]1[cH:20][cH:21][cH:22][cH:23]2

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 962WaterHCID 7912DiisopropylamineHCID 8025Ethyl formateHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 588994HCID 588994, compoundHCID 178418339Butyllithium

Product 1

HCID 14262258HCID 14262258, compound

Sources & evidence

ORD record
ord-85738c9fa0e34cd8bfb8cb930d1d73fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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