Acetic Acid → HCID 86594225, compound

HRID 2310311Notes

Reaction equation

HRID 2310311 reaction equation
[CH2:19]([O:20][CH:22]([O:21][CH2:33][CH3:34])[CH2:23][CH2:24][NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH3:35].[CH2:1]([CH3:2])[O:3][CH2:4][c:5]1[n:6]([NH2:18])[c:7]2[c:8]([cH:9][n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:17]1.[CH3:36][C:37]#[N:38].[CH3:39][C:40](=[O:41])[OH:42]>>[CH2:1]([CH3:2])[O:3][CH2:4][c:5]1[n:6]([N:18]=[CH:22][CH2:23][CH2:24][NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[c:7]2[c:8]([cH:9][n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[n:17]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6342AcetonitrileHCID 21075716HCID 21075716, compoundHCID 71346567tert-Butyl (3,3-diethoxypropyl)carbamate

Product 1

HCID 86594225HCID 86594225, compound

Sources & evidence

ORD record
ord-08ad8731f64f4c71babcf7bca8876175
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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