Bicarbonate Ion → methyl 6-[3-(3-fluorophenyl)-4-[[(2-methylpropan-2-yl)oxycarbonyl-(1-naphthalen-1-ylethyl)amino]methyl]piperidin-1-yl]hexanoate

HRID 136904Notes

Reaction equation

HRID 136904 reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[C:59](=[O:60])([O-:61])[OH:62].[Cl:64][CH2:65][Cl:66].[F:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][NH:10][CH2:11][CH2:12][CH:13]2[CH2:14][N:15]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[CH:23]([CH3:24])[c:25]2[cH:26][cH:27][cH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[cH:5][cH:6][cH:7]1.[Na+:58].[Na+:63].[O:35]=[CH:36][CH2:37][CH2:38][CH2:39][CH2:40][C:41](=[O:42])[O:43][CH3:44]>>[F:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][N:10]([CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][C:41](=[O:42])[O:43][CH3:44])[CH2:11][CH2:12][CH:13]2[CH2:14][N:15]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[CH:23]([CH3:24])[c:25]2[cH:26][cH:27][cH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 81164Methyl 6-oxohexanoateHCID 2724942TriacetoxyborohydrideHCID 178435691HCID 178435691, compound

Product 1

HCID 178500277methyl 6-[3-(3-fluorophenyl)-4-[[(2-methylpropan-2-yl)oxycarbonyl-(1-naphthalen-1-ylethyl)amino]methyl]piperidin-1-yl]hexanoate

Sources & evidence

ORD record
ord-5cc7c0fd99c44489b3c1fbfdeb6d38f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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