Acetic Acid → HCID 21948853, compound

HRID 1146845Notes

Reaction equation

HRID 1146845 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][C:56](=[O:57])[OH:58].[F:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1.[NH2:22][c:23]1[c:24]2[cH:25][cH:26][c:27]([CH3:33])[n:28][c:29]2[cH:30][cH:31][cH:32]1.[Na+:47]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH2:11][NH:22][c:23]2[c:24]3[cH:25][cH:26][c:27]([CH3:33])[n:28][c:29]3[cH:30][cH:31][cH:32]2)([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 1140TolueneHCID 1486835-Quinolinamine, 2-methyl-HCID 2724942TriacetoxyborohydrideHCID 115731224-(5-Fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal

Product 1

HCID 21948853HCID 21948853, compound

Sources & evidence

ORD record
ord-015f013cc9a34b3c8a2c3ce54ba2640c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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