Acetic Acid → HCID 59398332, compound

HRID 702591Notes

Reaction equation

HRID 702591 reaction equation
[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].[CH3:69][C:70](=[O:71])[OH:72].[CH:4]1([c:10]2[cH:11][cH:12][c:13]3[c:14]([CH3:24])[cH:15][c:16](=[O:23])[n:17]([CH2:20][CH:21]=[O:22])[c:18]3[cH:19]2)[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1.[CH:64]([Cl:65])([Cl:66])[Cl:67].[Cl:1][CH2:2][Cl:3].[Na+:63].[O:25]1[CH2:26][CH2:27][O:28][c:29]2[c:30]1[cH:31][cH:32][c:33]([CH2:35][N:36]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1)[cH:34]2.[OH2:68]>>[CH:4]1([c:10]2[cH:11][cH:12][c:13]3[c:14]([CH3:24])[cH:15][c:16](=[O:23])[n:17]([CH2:20][CH2:21][N:47]4[CH2:46][CH2:45][CH:44]([N:36]([CH2:35][c:33]5[cH:32][cH:31][c:30]6[c:29]([cH:34]5)[O:28][CH2:27][CH2:26][O:25]6)[C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:49][CH2:48]4)[c:18]3[cH:19]2)[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57815320Tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(piperidin-4-yl)carbamateHCID 59397891(7-Cyclohexyl-4-methyl-2-oxo-1,2-dihydroquinolin-1-yl)acetaldehyde

Product 1

HCID 59398332HCID 59398332, compound

Sources & evidence

ORD record
ord-9fa518f75e244e5aaba660cb0b4db9ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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