Acetone → HCID 136116401, compound

HRID 2336891Notes

Reaction equation

HRID 2336891 reaction equation
[C:23]([BH3-:24])#[N:25].[C:28](=[O:29])([OH:30])[O-:31].[CH3:33][C:34]([CH3:35])=[O:36].[CH3:37][OH:38].[ClH:27].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]3[c:11]([c:16]2-[c:17]2[cH:18][cH:19][n:20][cH:21][cH:22]2)[NH:12][NH:13][CH2:14][CH2:15]3)[cH:6][cH:7]1.[Na+:26].[Na+:32].[OH2:39]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]3[c:11]([c:16]2-[c:17]2[cH:18][cH:19][n:20][cH:21][cH:22]2)[NH:12][N:13]([CH:34]([CH3:33])[CH3:35])[CH2:14][CH2:15]3)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 498716Cyano-borohydrideHCID 135554955HCID 135554955, compound

Product 1

HCID 136116401HCID 136116401, compound

Sources & evidence

ORD record
ord-c45fb74e06dc48808bd243bead2edbbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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