Methanol → (4-{[({[3,5-Bis(trifluoromethyl)benzoyl]amino}sulfonyl)amino]methyl}cyclohexyl)methyl phenylcarbamate

HRID 1217505Notes

Reaction equation

HRID 1217505 reaction equation
[C:47]([O:48][CH2:49][CH3:50])(=[O:51])[CH3:52].[CH3:53][OH:54].[OH-:55].[OH-:57].[Pd+2:56].[c:1]1([NH:7][C:8]([O:9][CH2:10][CH:11]2[CH2:12][CH2:13][CH:14]([CH2:17][N:18]([S:19](=[O:20])(=[O:21])[NH:22][C:23]([c:24]3[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]3)=[O:38])[CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:15][CH2:16]2)=[O:46])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][C:8]([O:9][CH2:10][CH:11]2[CH2:12][CH2:13][CH:14]([CH2:17][NH:18][S:19](=[O:20])(=[O:21])[NH:22][C:23]([c:24]3[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]3)=[O:38])[CH2:15][CH2:16]2)=[O:46])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 887MethanolHCID 961Hydroxide2×HCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 22574466(4-{[Benzyl({[3,5-bis(trifluoromethyl)benzoyl]amino}sulfonyl)amino]methyl}cyclohexyl)methyl phenylcarbamate

Product 1

HCID 22574490(4-{[({[3,5-Bis(trifluoromethyl)benzoyl]amino}sulfonyl)amino]methyl}cyclohexyl)methyl phenylcarbamate

Sources & evidence

ORD record
ord-d0ce90b0f0864f89bd924acd3a841bdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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