Ethanol → (1-((1-Amino-2,3-dihydro-1H-inden-5-yl)methyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol

HRID 2158236Notes

Reaction equation

HRID 2158236 reaction equation
[CH3:33][CH2:34][OH:35].[OH-:36].[OH-:38].[OH:1][CH2:2][c:3]1[c:4]([C:29]([F:30])([F:31])[F:32])[n:5][n:6]([CH2:8][c:9]2[cH:10][c:11]3[c:15]([cH:16][cH:17]2)[CH:14]([NH:18][C:19](=[O:20])[O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:13][CH2:12]3)[cH:7]1.[Pd+2:37]>>[OH:1][CH2:2][c:3]1[c:4]([C:29]([F:30])([F:31])[F:32])[n:5][n:6]([CH2:8][c:9]2[cH:10][c:11]3[c:15]([cH:16][cH:17]2)[CH:14]([NH2:18])[CH2:13][CH2:12]3)[cH:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 961Hydroxide2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 67088172Benzyl 5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-ylcarbamate

Product 1

HCID 58230802(1-((1-Amino-2,3-dihydro-1H-inden-5-yl)methyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol

Sources & evidence

ORD record
ord-b2f59af2a40e4d3f9d9af563dcfdf5c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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