Acetic Acid → HCID 22380643, compound

HRID 2161197Notes

Reaction equation

HRID 2161197 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]1.[C:25]([O:26][BH-:27]([O:28][C:29](=[O:30])[CH3:31])[O:32][C:33](=[O:34])[CH3:35])(=[O:36])[CH3:37].[CH2:15]1[CH2:16][NH:17][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[CH2:24]1.[CH3:48][C:49](=[O:50])[OH:51].[Cl:44][CH:45]([Cl:46])[CH3:47].[Na+:38].[Na+:39].[OH:40][C:41](=[O:42])[O-:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:17]2[CH2:16][CH2:15][CH2:24][c:23]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 694601,2,3,4-TetrahydroquinolineHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 2724942Triacetoxyborohydride

Product 1

HCID 22380643HCID 22380643, compound

Sources & evidence

ORD record
ord-4bb287b5c6e14387991bcf470ebf5e04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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