Acetic Acid → HCID 58975535, compound

HRID 1565125Notes

Reaction equation

HRID 1565125 reaction equation
[C:32]([BH3-:33])#[N:34].[CH2:30]=[O:31].[CH3:41][C:42]#[N:43].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[CH3:51][C:52](=[O:53])[OH:54].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([NH:11][CH2:12][CH2:13][NH:14][CH2:15][c:16]2[cH:17][c:18]([C:22](=[O:23])[N:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[cH:19][cH:20][cH:21]2)[cH:8][cH:9][cH:10]1.[Na+:35].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[OH2:50]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([NH:11][CH2:12][CH2:13][N:14]([CH2:15][c:16]2[cH:17][c:18]([C:22](=[O:23])[N:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[cH:19][cH:20][cH:21]2)[CH3:32])[cH:8][cH:9][cH:10]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 58975544HCID 58975544, compound

Product 1

HCID 58975535HCID 58975535, compound

Sources & evidence

ORD record
ord-7875efe5fd144389bce1a4a33777cca8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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