Acetic Acid → HCID 178496269, compound

HRID 1121312Notes

Reaction equation

HRID 1121312 reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[C:44](=[O:45])([O-:46])[OH:47].[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[NH:23][CH2:24][CH:25]([CH2:26][O:27][CH3:28])[OH:29].[CH3:49][C:50]#[N:51].[CH3:52][C:53](=[O:54])[OH:55].[Cl:1][c:2]1[c:3]([CH:14]=[O:15])[n:4][cH:5][c:6]([N:8]([CH3:9])[CH:10]2[CH2:11][CH2:12][CH2:13]2)[n:7]1.[Na+:43].[Na+:48]>>[Cl:1][c:2]1[c:3]([CH2:14][N:23]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:24][CH:25]([CH2:26][O:27][CH3:28])[OH:29])[n:4][cH:5][c:6]([N:8]([CH3:9])[CH:10]2[CH2:11][CH2:12][CH2:13]2)[n:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 2724942TriacetoxyborohydrideHCID 179592301-Benzylamino-3-methoxy-propan-2-olHCID 86648997HCID 86648997, compound

Product 1

HCID 178496269HCID 178496269, compound

Sources & evidence

ORD record
ord-2f54ba5cec254143b9719433f8731260
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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