Acetate → HCID 53972885, compound

HRID 687589Notes

Reaction equation

HRID 687589 reaction equation
[Br:1][CH2:2][c:3]1[c:4]([CH2:9][CH:10]=[CH:11][c:12]2[cH:13][c:14]([O:15][CH2:16][c:17]3[n:18][c:19]4[cH:20][c:21]([Cl:27])[cH:22][cH:23][c:24]4[cH:25][cH:26]3)[cH:28][cH:29][cH:30]2)[cH:5][cH:6][cH:7][cH:8]1.[C-:32]#[N:33].[CH3:36][C:37](=[O:38])[O-:39].[CH3:40][CH2:41][OH:42].[CH3:43][C:44](=[O:45])[CH3:46].[NH4+:35].[Na+:34].[OH2:31]>>[CH2:2]([c:3]1[c:4]([CH2:9][CH:10]=[CH:11][c:12]2[cH:13][c:14]([O:15][CH2:16][c:17]3[n:18][c:19]4[cH:20][c:21]([Cl:27])[cH:22][cH:23][c:24]4[cH:25][cH:26]3)[cH:28][cH:29][cH:30]2)[cH:5][cH:6][cH:7][cH:8]1)[C:32]#[N:33]

Participants

9

Reactant 8

HCID 175AcetateHCID 180AcetoneHCID 223AmmoniumHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 5975CyanideHCID 54179119HCID 54179119, compound

Product 1

HCID 53972885HCID 53972885, compound

Sources & evidence

ORD record
ord-43aef8587bbc4b4e9f177429650cf958
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…