Acetate → {1-[N'-(3-(2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-3-hydroxy-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}carbamic acid methyl ester

HRID 2347402Notes

Reaction equation

HRID 2347402 reaction equation
[CH3:1][O:2][C:3]([NH:4][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[C:10](=[O:11])[NH:12][N:13]([CH2:14][CH2:15][C:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)([OH:24])[C:25]([NH:26][CH:27]([C:28]([CH3:29])([CH3:30])[CH3:31])[C:32]([NH:33][CH3:34])=[O:35])=[O:36])[CH2:37][c:38]1[cH:39][cH:40][c:41]([Br:44])[cH:42][cH:43]1)=[O:45].[CH3:71][O:72][CH2:73][CH2:74][O:75][CH3:76].[K+:55].[K+:56].[O-:57][C:58]([O-:59])=[O:60].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[OH2:61].[Pd+2:62].[n:46]1[cH:47][c:48]([B:52]([OH:53])[OH:54])[cH:49][cH:50][cH:51]1>>[CH3:1][O:2][C:3]([NH:4][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[C:10](=[O:11])[NH:12][N:13]([CH2:14][CH2:15][C:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)([OH:24])[C:25]([NH:26][CH:27]([C:28]([CH3:29])([CH3:30])[CH3:31])[C:32]([NH:33][CH3:34])=[O:35])=[O:36])[CH2:37][c:38]1[cH:39][cH:40][c:41](-[c:48]2[cH:47][n:46][cH:51][cH:50][cH:49]2)[cH:42][cH:43]1)=[O:45]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343783-Pyridinylboronic acidHCID 68677269(1-{N'-(4-Bromobenzyl)-N'-[3-(2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-3-hydroxy-4-phenyl-butyl]-hydrazinocarbonyl}2,2-dimethylpropyl)carbamic acid methyl ester

Product 1

HCID 68678997{1-[N'-(3-(2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-3-hydroxy-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}carbamic acid methyl ester

Sources & evidence

ORD record
ord-24dc35ebdd7f439eb34c816961e1eeeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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