Acetic Acid → Methyl 1-(2-(4-((tert-butoxycarbonyl)(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylate

HRID 101418Notes

Reaction equation

HRID 101418 reaction equation
[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[C:60](=[O:61])([O-:62])[OH:63].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([C:17](=[O:18])[O:19][CH3:20])[cH:8][c:9](=[O:16])[n:10]([CH2:13][CH:14]=[O:15])[c:11]2[cH:12]1.[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH3:71][C:72](=[O:73])[OH:74].[Cl:75][CH2:76][Cl:77].[Na+:59].[Na+:64].[O:21]1[CH2:22][CH2:23][O:24][c:25]2[c:26]1[cH:27][cH:28][c:29]([CH2:31][N:32]([C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1)[cH:30]2>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([C:17](=[O:18])[O:19][CH3:20])[cH:8][c:9](=[O:16])[n:10]([CH2:13][CH2:14][N:43]3[CH2:42][CH2:41][CH:40]([N:32]([CH2:31][c:29]4[cH:28][cH:27][c:26]5[c:25]([cH:30]4)[O:24][CH2:23][CH2:22][O:21]5)[C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:45][CH2:44]3)[c:11]2[cH:12]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 57815320Tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(piperidin-4-yl)carbamateHCID 59397992Methyl 7-methoxy-2-oxo-1-(2-oxoethyl)-1,2-dihydroquinoline-4-carboxylate

Product 1

HCID 59398204Methyl 1-(2-(4-((tert-butoxycarbonyl)(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylate

Sources & evidence

ORD record
ord-f552b225c47749478703a39ce6da8fdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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