Acetate → HCID 22255974, compound

HRID 1571873Notes

Reaction equation

HRID 1571873 reaction equation
[BH4-:1].[C:21]([O-:22])(=[O:23])[CH3:24].[CH3:34][C:35](=[O:36])[OH:37].[CH3:39][CH2:40][OH:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH:26](=[O:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[NH2:3][c:4]1[n:5][s:6][c:7]([NH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:8]1[C:9]#[N:10].[Na+:25].[Na+:2].[OH2:18].[OH2:19].[OH2:20].[OH2:38]>>[NH:3]([c:4]1[n:5][s:6][c:7]([NH:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:8]1[C:9]#[N:10])[CH2:26][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1

Participants

10

Reactant 9

HCID 175AcetateHCID 176Acetic AcidHCID 240BenzaldehydeHCID 702EthanolHCID 923Sodium ion2×HCID 962Water4×HCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 14171368HCID 14171368, compound

Product 1

HCID 22255974HCID 22255974, compound

Sources & evidence

ORD record
ord-e8f55f8ccd9c4b268229136d998bca16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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