Methanol → Trifluoroacetate

HRID 208578Notes

Reaction equation

HRID 208578 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:24][OH:25].[CH3:26][NH2:27].[CH3:43][C:44]#[N:45].[Cl:1][c:2]1[c:3]([Cl:23])[cH:4][c:5]2[n:6]1[c:7]([CH2:12][c:13]1[cH:14][cH:15][c:16]([F:22])[c:17]([C:18]([OH:19])=[O:20])[cH:21]1)[cH:8][nH:9][c:10]2=[O:11].[Cl:40][CH2:41][Cl:42].[F:28][C:29]([C:30](=[O:31])[OH:32])([F:33])[F:34].[OH2:46]>>[Cl:1][c:2]1[c:3]([Cl:23])[cH:4][c:5]2[n:6]1[c:7]([CH2:12][c:13]1[cH:14][cH:15][c:16]([F:22])[c:17]([CH2:18][NH2+:27][CH3:26])[cH:21]1)[cH:8][nH:9][c:10]2=[O:11].[F:28][C:29]([C:30](=[O:31])[O-:32])([F:33])[F:34]

Participants

10

Reactant 8

HCID 887MethanolHCID 962WaterHCID 6329MethylamineHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 68689414HCID 68689414, compound

Product 2

HCID 84468TrifluoroacetateHCID 178486205HCID 178486205, compound

Sources & evidence

ORD record
ord-9c75cbb4245740cda6ba7fb3ee2d5a76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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