Acetic Acid → HCID 58896591, compound

HRID 2337563Notes

Reaction equation

HRID 2337563 reaction equation
[C:34]([BH3-:35])#[N:36].[CH3:30][C:31](=[O:32])[OH:33].[CH3:38][OH:39].[CH:25]1([CH:28]=[O:29])[CH2:26][CH2:27]1.[Na+:37].[c:1]1([CH3:24])[c:2]([NH:9][c:10]2[n:11][c:12]3[c:13]([n:14]2[CH3:15])[c:16]([NH:20][CH2:21][CH2:22][CH3:23])[cH:17][cH:18][cH:19]3)[c:3]([CH3:8])[cH:4][c:5]([CH3:7])[cH:6]1>>[c:1]1([CH3:24])[c:2]([NH:9][c:10]2[n:11][c:12]3[c:13]([n:14]2[CH3:15])[c:16]([N:20]([CH2:21][CH2:22][CH3:23])[CH2:28][CH:25]2[CH2:26][CH2:27]2)[cH:17][cH:18][cH:19]3)[c:3]([CH3:8])[cH:4][c:5]([CH3:7])[cH:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 123114CyclopropanecarboxaldehydeHCID 498716Cyano-borohydrideHCID 86612998HCID 86612998, compound

Product 1

HCID 58896591HCID 58896591, compound

Sources & evidence

ORD record
ord-879c0b1c56694ec8aecf24cfbde31726
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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