Acetic Acid → tert-Butyl 4-({6-[(2-{4-[(biphenyl-2-ylcarbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)amino]-6-oxohexyl}amino)-2-methylbenzoate

HRID 1127956Notes

Reaction equation

HRID 1127956 reaction equation
[BH4-:64].[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[CH2:66]([Cl:67])[Cl:68].[CH3:69][C:70](=[O:71])[OH:72].[NH2:35][c:36]1[cH:37][c:38]([CH3:49])[c:39]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[cH:47][cH:48]1.[Na+:63].[Na+:65].[c:1]1(-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:2]([NH:7][C:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][N:18]([C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH:24]=[O:25])=[O:26])[CH3:27])[CH2:14][CH2:15]2)=[O:28])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:2]([NH:7][C:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][N:18]([C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][NH:35][c:36]3[cH:37][c:38]([CH3:49])[c:39]([C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[cH:47][cH:48]3)=[O:26])[CH3:27])[CH2:14][CH2:15]2)=[O:28])[cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 28123BorohydrideHCID 2724942TriacetoxyborohydrideHCID 45089772Tert-butyl 4-amino-2-methylbenzoateHCID 867619011-{2-[Methyl(6-oxohexanoyl)amino]ethyl}piperidin-4-yl biphenyl-2-ylcarbamate

Product 1

HCID 86761900tert-Butyl 4-({6-[(2-{4-[(biphenyl-2-ylcarbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)amino]-6-oxohexyl}amino)-2-methylbenzoate

Sources & evidence

ORD record
ord-1e29bad5092e48b5a0158ac0d1be02a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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