Acetic Acid → HCID 57424233, compound

HRID 1210236Notes

Reaction equation

HRID 1210236 reaction equation
[C:26]([BH3-:27])#[N:28].[C:30](=[O:31])([O-:32])[O-:33].[CH3:1][C:2]1([CH3:21])[CH2:3][CH2:4][C:5](=[O:20])[c:6]2[cH:7][cH:8][c:9]([O:12][S:13](=[O:14])(=[O:15])[C:16]([F:17])([F:18])[F:19])[cH:10][c:11]21.[CH3:36][I:37].[CH3:48][C:49](=[O:50])[OH:51].[CH3:52][C:53]#[N:54].[CH:22]1([NH2:25])[CH2:23][CH2:24]1.[Cl:38][CH2:39][Cl:40].[K+:34].[K+:35].[Na+:29].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH2:41]>>[CH3:1][C:2]1([CH3:21])[CH2:3][CH2:4][CH:5]([N:25]([CH:22]2[CH2:23][CH2:24]2)[CH3:26])[c:6]2[cH:7][cH:8][c:9]([O:12][S:13](=[O:14])(=[O:15])[C:16]([F:17])([F:18])[F:19])[cH:10][c:11]21

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 923Sodium ion3×HCID 962WaterHCID 6328Methyl iodideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 19660Carbonate Ion2×HCID 69828CyclopropylamineHCID 498716Cyano-borohydrideHCID 225687874,4-Dimethyl-6-trifluoromethylsulfonyloxy-1,2,3,4-tetrahydronaphthalene-1-one

Product 1

HCID 57424233HCID 57424233, compound

Sources & evidence

ORD record
ord-d3a6b0c318c9401e8d668b3b7b3aba36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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