Acetic Acid → HCID 23141889, compound

HRID 203468Notes

Reaction equation

HRID 203468 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH3:1][C:2]1([CH3:27])[CH2:3][CH2:4][CH:5]([c:8]2[c:9]([N:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[cH:10][cH:11][c:12]([N:14]3[CH2:15][CH:16]([O:19][CH3:20])[CH2:17][CH2:18]3)[cH:13]2)[CH2:6][CH2:7]1.[CH3:47][C:48](=[O:49])[OH:50].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH:28]([CH2:29][CH2:30][CH3:31])=[O:32].[Na+:46].[Na+:51].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH:52][C:53](=[O:54])[O-:55]>>[CH3:1][C:2]1([CH3:27])[CH2:3][CH2:4][CH:5]([c:8]2[c:9]([N:21]3[CH2:22][CH2:23][N:24]([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:25][CH2:26]3)[cH:10][cH:11][c:12]([N:14]3[CH2:15][CH:16]([O:19][CH3:20])[CH2:17][CH2:18]3)[cH:13]2)[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 261ButanalHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 69283466HCID 69283466, compound

Product 1

HCID 23141889HCID 23141889, compound

Sources & evidence

ORD record
ord-cca42dde0aa246729c953cd14020e67e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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