Acetic Acid → tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(1-(2-(7-methoxy-4-((methylamino)carbonyl)-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

HRID 89388Notes

Reaction equation

HRID 89388 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])[NH:19][CH3:20])[cH:8][c:9](=[O:16])[n:10]([CH2:13][CH:14]=[O:15])[c:11]2[cH:12]1.[CH3:69][C:70](=[O:71])[OH:72].[CH:65]([Cl:66])([Cl:67])[Cl:68].[Cl:73][CH2:74][Cl:75].[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])[NH: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 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57815320Tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(piperidin-4-yl)carbamateHCID 593979037-methoxy-N-methyl-2-oxo-1-(2-oxoethyl)-1,2-dihydroquinoline-4-carboxamide

Product 1

HCID 59398009tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(1-(2-(7-methoxy-4-((methylamino)carbonyl)-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

Sources & evidence

ORD record
ord-39c1ab194ac0414bbb0c18ac5b15e22a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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