Acetic Acid → HCID 22406840, compound

HRID 302092Notes

Reaction equation

HRID 302092 reaction equation
[C:1]([BH3-:2])#[N:3].[CH3:28][C:29](=[O:30])[OH:31].[CH3:34][OH:35].[Cl:5][c:6]1[c:7]([C:12]2([C:15]3=[N:16][CH2:17][CH2:18][c:19]4[cH:20][c:21]([F:27])[c:22]([O:25][CH3:26])[cH:23][c:24]43)[CH2:13][CH2:14]2)[cH:8][cH:9][cH:10][cH:11]1.[Na+:33].[Na+:4].[OH-:32]>>[Cl:5][c:6]1[c:7]([C:12]2([CH:15]3[NH:16][CH2:17][CH2:18][c:19]4[cH:20][c:21]([F:27])[c:22]([O:25][CH3:26])[cH:23][c:24]43)[CH2:13][CH2:14]2)[cH:8][cH:9][cH:10][cH:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 498716Cyano-borohydrideHCID 22406749HCID 22406749, compound

Product 1

HCID 22406840HCID 22406840, compound

Sources & evidence

ORD record
ord-f36a5fd298404e83bff0a17a36adf5c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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