Water → Trifluoroacetic acid

HRID 1570270Notes

Reaction equation

HRID 1570270 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:42][P:43]([CH3:44])[CH3:45].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[N:8](=[N+:9]=[N-:10])[c:11]1[nH:12][c:13]([C:17](=[O:18])[NH:19][CH2:20][c:21]2[c:22]([F:40])[c:23]([O:28][c:29]3[cH:30][c:31]([C:38]#[N:39])[cH:32][c:33]([CH:35]([F:36])[F:37])[cH:34]3)[c:24]([Cl:27])[cH:25][cH:26]2)[c:14]([Cl:16])[n:15]1.[OH2:41]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH2:8][c:11]1[nH:12][c:13]([C:17](=[O:18])[NH:19][CH2:20][c:21]2[c:22]([F:40])[c:23]([O:28][c:29]3[cH:30][c:31]([C:38]#[N:39])[cH:32][c:33]([CH:35]([F:36])[F:37])[cH:34]3)[c:24]([Cl:27])[cH:25][cH:26]2)[c:14]([Cl:16])[n:15]1

Participants

7

Reactant 5

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 68983TrimethylphosphineHCID 178510252HCID 178510252, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178510249HCID 178510249, compound

Sources & evidence

ORD record
ord-7d6fab4b54fa4531b96446e66dd04d88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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