Methanol → Trifluoroacetic acid

HRID 1153227Notes

Reaction equation

HRID 1153227 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][NH:8][C:9](=[O:10])[CH:11]1[CH2:12][CH2:13][N:14]([CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[c:25](-[c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[cH:26][c:27]4[cH:28][n:29][c:30]5[n:31]([c:32]4[n:33]3)[n:34][c:35]([CH3:37])[cH:36]5)[cH:22][cH:23]2)[CH2:15][CH2:16]1)=[O:44].[CH3:57][OH:58].[Cl:54][CH2:55][Cl:56].[F:45][C:46]([C:47](=[O:48])[OH:49])([F:50])[F:51].[N:52]#[N:53]>>[F:45][C:46]([C:47](=[O:48])[OH:49])([F:50])[F:51].[O:5]=[C:6]([CH2:7][NH:8][C:9](=[O:10])[CH:11]1[CH2:12][CH2:13][N:14]([CH2:17][c:18]2[cH:19][cH:20][c:21](-[c:24]3[c:25](-[c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[cH:26][c:27]4[cH:28][n:29][c:30]5[n:31]([c:32]4[n:33]3)[n:34][c:35]([CH3:37])[cH:36]5)[cH:22][cH:23]2)[CH2:15][CH2:16]1)[OH:44]

Participants

7

Reactant 5

HCID 887MethanolHCID 947NitrogenHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 46940851HCID 46940851, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 58034768HCID 58034768, compound

Sources & evidence

ORD record
ord-a7d7140196d74a9c9e4b8de2c1f025cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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