Acetic Acid → HCID 23141742, compound

HRID 668996Notes

Reaction equation

HRID 668996 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH2:1]([CH3:2])[C:3]1([CH2:28][CH3:29])[CH2:4][CH2:5][CH:6]([c:9]2[c:10]([N:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:11][cH:12][c:13]([N:15]3[CH2:16][CH:17]([O:20][CH3:21])[CH2:18][CH2:19]3)[cH:14]2)[CH2:7][CH2:8]1.[CH3:49][C:50](=[O:51])[OH:52].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:30]([CH2:31][CH2:32][CH3:33])=[O:34].[Na+:48].[Na+:53].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH:54][C:55](=[O:56])[O-:57]>>[CH2:1]([CH3:2])[C:3]1([CH2:28][CH3:29])[CH2:4][CH2:5][CH:6]([c:9]2[c:10]([N:22]3[CH2:23][CH2:24][N:25]([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:26][CH2:27]3)[cH:11][cH:12][c:13]([N:15]3[CH2:16][CH:17]([O:20][CH3:21])[CH2:18][CH2:19]3)[cH:14]2)[CH2:7][CH2:8]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 261ButanalHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 23141549HCID 23141549, compound

Product 1

HCID 23141742HCID 23141742, compound

Sources & evidence

ORD record
ord-77ff147d19174ea399553790ddab82cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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