Acetic Acid → tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(1-(2-(2-oxo-1,6-naphthyridin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

HRID 1226638Notes

Reaction equation

HRID 1226638 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[C:54](=[O:55])([O-:56])[OH:57].[CH3:66][C:67](=[O:68])[OH:69].[CH:62]([Cl:63])([Cl:64])[Cl:65].[Cl:59][CH2:60][Cl:61].[Na+:53].[Na+:58].[O:15]1[CH2:16][CH2:17][O:18][c:19]2[c:20]1[cH:21][cH:22][c:23]([CH2:25][N:26]([C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1)[cH:24]2.[O:1]=[c:2]1[n:3]([CH2:12][CH:13]=[O:14])[c:4]2[cH:5][cH:6][n:7][cH:8][c:9]2[cH:10][cH:11]1>>[O:1]=[c:2]1[n:3]([CH2:12][CH2:13][N:37]2[CH2:36][CH2:35][CH:34]([N:26]([CH2:25][c:23]3[cH:22][cH:21][c:20]4[c:19]([cH:24]3)[O:18][CH2:17][CH2:16][O:15]4)[C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:39][CH2:38]2)[c:4]2[cH:5][cH:6][n:7][cH:8][c:9]2[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57815268HCID 57815268, compoundHCID 57815320Tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(piperidin-4-yl)carbamate

Product 1

HCID 57815276tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(1-(2-(2-oxo-1,6-naphthyridin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

Sources & evidence

ORD record
ord-aa451db2c2d54e99bef3320dcf140c84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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