2-Thiophenecarboxylic acid → N-Propyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]-2-thiophenecarboxamide

HRID 162842Notes

Reaction equation

HRID 162842 reaction equation
[F:9][C:10]([C:11]([CH2:12][NH:13][c:14]1[c:15]2[cH:16][n:17][n:18](-[c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)[c:19]2[cH:20][cH:21][cH:22]1)([OH:30])[CH2:31][NH:32][CH2:33][CH2:34][CH3:35])([F:36])[F:37].[s:1]1[c:2]([C:6](=[O:7])[OH:8])[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([C:6](=[O:8])[N:32]([CH2:31][C:11]([C:10]([F:9])([F:36])[F:37])([CH2:12][NH:13][c:14]2[c:15]3[cH:16][n:17][n:18](-[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[c:19]3[cH:20][cH:21][cH:22]2)[OH:30])[CH2:33][CH2:34][CH3:35])[cH:3][cH:4][cH:5]1

Participants

3

Reactant 2

HCID 107002-Thiophenecarboxylic acidHCID 593241371,1,1-Trifluoro-3-{[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}-2-[(propylamino)methyl]-2-propanol

Product 1

HCID 59324167N-Propyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]-2-thiophenecarboxamide

Sources & evidence

ORD record
ord-3e788500c3854a88a27faced8ede7477
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…