Acetone → HCID 66770390, compound

HRID 190936Notes

Reaction equation

HRID 190936 reaction equation
[BH4-:45].[C:47](=[O:48])([OH:49])[O-:50].[CH3:43][OH:44].[CH3:52][C:53](=[O:54])[CH3:55].[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[c:12]([c:13]4[cH:14][cH:15][c:16]([CH:19]=[O:20])[cH:17][c:18]24)[n:21][n:22]([CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:40])([CH3:41])[CH3:42])[c:23]3[NH:24][CH:25]2[CH2:26][CH2:27][N:28]([S:31](=[O:32])(=[O:33])[NH2:34])[CH2:29][CH2:30]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Na+:46].[Na+:51]>>[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[c:12]([c:13]4[cH:14][cH:15][c:16]([CH2:19][OH:20])[cH:17][c:18]24)[n:21][n:22]([CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:40])([CH3:41])[CH3:42])[c:23]3[NH:24][CH:25]2[CH2:26][CH2:27][N:28]([S:31](=[O:32])(=[O:33])[NH2:34])[CH2:29][CH2:30]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 28123BorohydrideHCID 86664936HCID 86664936, compound

Product 1

HCID 66770390HCID 66770390, compound

Sources & evidence

ORD record
ord-6fdfd1fd1e2f46f5bbd0ec9b90c51862
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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