Acetic Acid → HCID 178430244, compound

HRID 137786Notes

Reaction equation

HRID 137786 reaction equation
[C:41]([BH3-:42])#[N:43].[CH3:1][CH:2]1[CH2:3][N:4]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([N:22]4[CH2:23][CH2:24][C:25](=[O:28])[CH2:26][CH2:27]4)[n:18][cH:19][cH:20][cH:21]3)[n:14][cH:15]2)[CH2:5][CH:6]([CH3:8])[NH:7]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:45][OH:46].[NH2:29][c:30]1[cH:31][cH:32][cH:33][c:34]([F:35])[cH:36]1.[Na+:44]>>[CH3:1][CH:2]1[CH2:3][N:4]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([N:22]4[CH2:23][CH2:24][CH:25]([NH:29][c:30]5[cH:31][cH:32][cH:33][c:34]([F:35])[cH:36]5)[CH2:26][CH2:27]4)[n:18][cH:19][cH:20][cH:21]3)[n:14][cH:15]2)[CH2:5][CH:6]([CH3:8])[NH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 97423-FluoroanilineHCID 498716Cyano-borohydrideHCID 178430249HCID 178430249, compound

Product 1

HCID 178430244HCID 178430244, compound

Sources & evidence

ORD record
ord-733e57699413468e929e814a3d65c622
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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