Acetic Acid → HCID 25160453, compound

HRID 1119393Notes

Reaction equation

HRID 1119393 reaction equation
[C:38]([BH3-:39])#[N:40].[CH3:42][C:43](=[O:44])[OH:45].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][n:6]([CH:35]3[CH2:36][CH2:37]3)[n:7][c:8]2[c:9]([CH:11]([CH3:12])[O:13][CH2:14][C:15]2([c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[CH2:16][CH2:17][N:18]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:19][CH2:20]2)[cH:10]1.[Na+:41].[OH:46][C:47]([C:48]([F:49])([F:50])[F:51])=[O:52]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][n:6]([CH:35]3[CH2:36][CH2:37]3)[n:7][c:8]2[c:9]([CH:11]([CH3:12])[O:13][CH2:14][C:15]2([c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]2)[cH:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 57546158HCID 57546158, compound

Product 1

HCID 25160453HCID 25160453, compound

Sources & evidence

ORD record
ord-f9e5a4c6799048569d8bd578b52e75c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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