Acetic Acid → HCID 21557607, compound

HRID 195132Notes

Reaction equation

HRID 195132 reaction equation
[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:34][C:35](=[O:36])[OH:37].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[CH:29](=[O:30])[O:31][CH2:32][CH3:33].[O:13]1[CH:14]([O:19][c:20]2[cH:21][cH:22][c:23]([CH2:26][C:27]#[N:28])[cH:24][cH:25]2)[CH2:15][CH2:16][CH2:17][CH2:18]1.[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:38]>>[O:13]1[CH:14]([O:19][c:20]2[cH:21][cH:22][c:23]([CH:26]([C:27]#[N:28])[CH:29]=[O:30])[cH:24][cH:25]2)[CH2:15][CH2:16][CH2:17][CH2:18]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 962WaterHCID 7912DiisopropylamineHCID 8025Ethyl formateHCID 8028TetrahydrofuranHCID 12362499HCID 12362499, compoundHCID 178418339Butyllithium

Product 1

HCID 21557607HCID 21557607, compound

Sources & evidence

ORD record
ord-a547be5fbc43455bb21feec6238cfb30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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