Acetic Acid → HCID 67315626, compound

HRID 1139785Notes

Reaction equation

HRID 1139785 reaction equation
[C:25]([O:26][BH-:27]([O:28][C:29](=[O:30])[CH3:31])[O:32][C:33](=[O:34])[CH3:35])(=[O:36])[CH3:37].[C:41]([BH3-:42])#[N:43].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([NH2:13])[CH2:11][CH2:12]1.[CH2:39]=[O:40].[CH3:21][C:22](=[O:23])[OH:24].[CH3:48][CH2:49][OH:50].[Cl:45][CH2:46][Cl:47].[Na+:38].[Na+:44].[O:14]1[CH2:15][CH2:16][C:17](=[O:20])[CH2:18][CH2:19]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([N:13]([CH:17]2[CH2:16][CH2:15][O:14][CH2:19][CH2:18]2)[CH3:21])[CH2:11][CH2:12]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 702EthanolHCID 712FormaldehydeHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 121599Tetrahydro-4H-pyran-4-oneHCID 498716Cyano-borohydrideHCID 2724942TriacetoxyborohydrideHCID 27566131-Benzyl-3-aminopyrrolidine

Product 1

HCID 67315626HCID 67315626, compound

Sources & evidence

ORD record
ord-0e60a246ec0e4be0ba76be381eb0c696
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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