Acetic Acid → HCID 23509778, compound

HRID 110275Notes

Reaction equation

HRID 110275 reaction equation
[C:32]([BH3-:33])#[N:34].[C:36]([OH:37])(=[O:38])[CH3:39].[CH3:40][OH:41].[CH:26]1([C:29](=[O:30])[CH3:31])[CH2:27][CH2:28]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[c:11]([NH:17][CH2:18][CH:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:12][cH:13][c:14]([CH3:16])[cH:15]2)=[O:25])[n:6][cH:7]1.[Na+:35]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[c:11]([NH:17][CH2:18][CH:19]3[CH2:20][CH2:21][N:22]([CH:29]([CH:26]4[CH2:27][CH2:28]4)[CH3:31])[CH2:23][CH2:24]3)[cH:12][cH:13][c:14]([CH3:16])[cH:15]2)=[O:25])[n:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 13004Cyclopropyl methyl ketoneHCID 498716Cyano-borohydrideHCID 21906399HCID 21906399, compound

Product 1

HCID 23509778HCID 23509778, compound

Sources & evidence

ORD record
ord-d47eb7f8e4ad40faabc18d149862ca14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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