Benzene → 2-[2-(4-Methoxycarbonylmethylphenoxy)-1-methylethyl]amino-1-(3,5-di-t-butyl-4-hydroxyphenyl)ethanol

HRID 103451

Reaction equation

HRID 103451 reaction equation
[C:42]([BH3-:43])#[N:44].[CH3:46][OH:47].[NH2:1][CH2:2][CH:3]([OH:4])[c:5]1[cH:6][c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:8]([OH:15])[c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1.[Na+:45].[O:20]=[C:21]([CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][C:31](=[O:32])[O:33][CH3:34])[cH:28][cH:29]1)[CH3:35].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[NH:1]([CH2:2][CH:3]([OH:4])[c:5]1[cH:6][c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:8]([OH:15])[c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1)[CH:21]([CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][C:31](=[O:32])[O:33][CH3:34])[cH:28][cH:29]1)[CH3:35]

Participants

7

Reactant 6

HCID 241BenzeneHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 218321632-Amino-1-(3,5-di-t-butyl-4-hydroxyphenyl)ethanolHCID 21832178Methyl 4-(2-oxopropoxy)phenylacetate

Product 1

HCID 218321892-[2-(4-Methoxycarbonylmethylphenoxy)-1-methylethyl]amino-1-(3,5-di-t-butyl-4-hydroxyphenyl)ethanol

Sources & evidence

ORD record
ord-5ec9f4cca5a14d26af74d209f4f4d1f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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