Methanol → Trifluoroacetic acid

HRID 702314Notes

Reaction equation

HRID 702314 reaction equation
[CH3:41][OH:42].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH2:8][CH2:9][c:10]1[c:11]2[c:20]([cH:21][cH:22][c:23]1[O:24][CH3:25])[C:19]([CH3:26])([CH3:27])[c:18]1[c:13]([c:14]([CH2:30][C:31](=[O:32])[O:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[c:15]([O:28][CH3:29])[cH:16][cH:17]1)[O:12]2>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH2:8][CH2:9][c:10]1[c:11]2[c:20]([cH:21][cH:22][c:23]1[O:24][CH3:25])[C:19]([CH3:26])([CH3:27])[c:18]1[c:13]([c:14]([CH2:30][C:31](=[O:32])[OH:33])[c:15]([O:28][CH3:29])[cH:16][cH:17]1)[O:12]2

Participants

5

Reactant 3

HCID 887MethanolHCID 6422Trifluoroacetic acidHCID 18972494Benzyl 2-[5-(aminomethyl)-3,6-dimethoxy-9,9-dimethylxanthen-4-yl]acetate

Product 2

HCID 6422Trifluoroacetic acidHCID 189726322-[5-(Aminomethyl)-3,6-dimethoxy-9,9-dimethylxanthen-4-yl]acetic acid

Sources & evidence

ORD record
ord-895b8afd6a834f088e2076e717cdf759
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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