Methanol → Trifluoroacetic acid

HRID 135683Notes

Reaction equation

HRID 135683 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([C:30]3=[CH:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[c:17]([NH:20][C:21](=[O:22])[c:23]3[nH:24][cH:25][c:26]([C:28]#[N:29])[cH:27]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:36][OH:37].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([C:40](=[O:41])[OH:42])([F:43])[F:44]>>[F:38][C:39]([C:40](=[O:41])[OH:42])([F:43])[F:44].[NH:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([C:30]3=[CH:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[c:17]([NH:20][C:21](=[O:22])[c:23]3[nH:24][cH:25][c:26]([C:28]#[N:29])[cH:27]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

6

Reactant 4

HCID 887MethanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 586945824-{4-[(4-Cyano-1H-pyrrole-2-carbonyl)-amino]-3-cyclohex-1-enyl-phenyl]-piperidine-1-carboxylic acid tert-butyl ester

Product 2

HCID 6422Trifluoroacetic acidHCID 115308954-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-pyrrole-2-carboxamide

Sources & evidence

ORD record
ord-8f64794337204e9384dd1e2ee2bdd30b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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