Acetic Acid → HCID 22678498, compound

HRID 2159160Notes

Reaction equation

HRID 2159160 reaction equation
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[C:45](=[O:46])([OH:47])[O-:48].[CH2:14]1[O:15][c:16]2[c:17]([CH2:23][CH2:24][CH:25]3[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]3)[cH:18][cH:19][cH:20][c:21]2[O:22]1.[CH3:55][C:56](=[O:57])[OH:58].[Na+:44].[Na+:49].[O:1]=[c:2]1[nH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[cH:10][c:11]1[CH:12]=[O:13].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[O:1]=[c:2]1[nH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[cH:10][c:11]1[CH2:12][N:28]1[CH2:27][CH2:26][CH:25]([CH2:24][CH2:23][c:17]2[c:16]3[c:21]([cH:20][cH:19][cH:18]2)[O:22][CH2:14][O:15]3)[CH2:30][CH2:29]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 5893342-Hydroxyquinoline-3-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 22678447HCID 22678447, compound

Product 1

HCID 22678498HCID 22678498, compound

Sources & evidence

ORD record
ord-f1620be878814a4eb8a49092a14e6549
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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