Acetate → HCID 178460438, compound

HRID 1559157Notes

Reaction equation

HRID 1559157 reaction equation
[C:1]([BH3-:2])#[N:3].[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[O:29][C:30](=[O:31])[CH:32]([CH3:33])[N:34]1[C:35](=[O:56])[CH:36]([NH:41][CH:42]([C:43]([O:44][CH2:45][CH3:46])=[O:47])[CH2:48][CH2:49][c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[CH2:37][CH2:38][CH2:39][CH2:40]1.[CH3:58][C:59](=[O:60])[O-:61].[CH3:62][CH2:63][OH:64].[Na+:4].[Na+:57].[O:5]=[C:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])([CH2:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[NH:41][CH:36]1[C:35](=[O:56])[N:34]([CH:32]([C:30]([O:29][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)=[O:31])[CH3:33])[CH2:40][CH2:39][CH2:38][CH2:37]1

Participants

7

Reactant 6

HCID 175AcetateHCID 702EthanolHCID 923Sodium ion2×HCID 498716Cyano-borohydrideHCID 13749502HCID 13749502, compoundHCID 14187456HCID 14187456, compound

Product 1

HCID 178460438HCID 178460438, compound

Sources & evidence

ORD record
ord-48c9d87f67cc463d9066ce5f79270a59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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