Ethanol → 3-[2-[5-[4-(4-Aminobutyl)phenyl]pentan-2-ylamino]-1-hydroxyethyl]phenol

HRID 1201941Notes

Reaction equation

HRID 1201941 reaction equation
[CH3:41][CH2:42][OH:43].[OH-:38].[OH-:39].[OH:1][CH:2]([CH2:3][NH:4][CH:5]([CH2:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][CH2:18][NH:19][C:20](=[O:21])[O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:13][cH:14]1)[CH3:30])[c:31]1[cH:32][c:33]([OH:37])[cH:34][cH:35][cH:36]1.[Pd+2:40]>>[OH:1][CH:2]([CH2:3][NH:4][CH:5]([CH2:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][CH2:18][NH2:19])[cH:13][cH:14]1)[CH3:30])[c:31]1[cH:32][c:33]([OH:37])[cH:34][cH:35][cH:36]1

Participants

5

Reactant 4

HCID 702EthanolHCID 961Hydroxide2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 66861394benzyl N-[4-[4-[4-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]pentyl]phenyl]butyl]carbamate

Product 1

HCID 771980993-[2-[5-[4-(4-Aminobutyl)phenyl]pentan-2-ylamino]-1-hydroxyethyl]phenol

Sources & evidence

ORD record
ord-a95a5eff1a2546ffbbcdfd6162e01664
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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