2-Methylpentane → N-(2,2-dimethoxyethyl)-N-hexan-2-yl-3-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethoxy]propanamide

HRID 1236735Notes

Reaction equation

HRID 1236735 reaction equation
[CH3:1][n:2]1[n:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:10][CH2:11][O:12][CH2:13][CH2:14][C:15](=[O:16])[OH:17])[cH:18][cH:19][cH:20]2)[cH:6]1.[CH3:21][O:22][CH:23]([CH2:24][NH:25][CH:26]([CH3:27])[CH2:28][CH2:29][CH2:30][CH3:31])[O:32][CH3:33].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][CH2:41][CH2:42][CH:43]([CH3:44])[CH3:45]>>[CH3:1][n:2]1[n:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:10][CH2:11][O:12][CH2:13][CH2:14][C:15](=[O:17])[N:25]([CH2:24][CH:23]([O:22][CH3:21])[O:32][CH3:33])[CH:26]([CH3:27])[CH2:28][CH2:29][CH2:30][CH3:31])[cH:18][cH:19][cH:20]2)[cH:6]1

Participants

5

Reactant 4

HCID 78922-MethylpentaneHCID 8857Ethyl AcetateHCID 592904613-(3-(1-methyl-1H-pyrazol-4-yl)phenethoxy)propanoic acidHCID 60815870N-(2,2-dimethoxyethyl)hexan-2-amine

Product 1

HCID 67076319N-(2,2-dimethoxyethyl)-N-hexan-2-yl-3-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethoxy]propanamide

Sources & evidence

ORD record
ord-5d3c2284fbd74e3aa1eae9b62da2c63b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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