Formic Acid → (+)-1-(4-{2-[2-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid

HRID 2347355Notes

Reaction equation

HRID 2347355 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]1([O:11][c:12]2[cH:13][c:14]([F:44])[c:15]([NH:18][C:19]([CH:20]([CH:21]3[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[c:27]3[n:28](-[c:36]4[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]4)[n:29][c:30]4[c:35]3[CH2:34][CH2:33][CH2:32][CH2:31]4)=[O:43])[cH:16][cH:17]2)[CH2:9][CH2:10]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:50][S:51]([CH3:52])=[O:53].[CH:54]([OH:55])([CH3:56])[CH3:57].[CH:58]([OH:59])=[O:60]>>[O:5]=[C:6]([OH:7])[C:8]1([O:11][c:12]2[cH:13][c:14]([F:44])[c:15]([NH:18][C:19]([CH:20]([CH:21]3[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[c:27]3[n:28](-[c:36]4[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]4)[n:29][c:30]4[c:35]3[CH2:34][CH2:33][CH2:32][CH2:31]4)=[O:43])[cH:16][cH:17]2)[CH2:9][CH2:10]1

Participants

6

Reactant 5

HCID 284Formic AcidHCID 679Dimethyl SulfoxideHCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 67130978(+)-1-(4-{2-[2-(4-chloro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid tert-butyl ester

Product 1

HCID 45110644(+)-1-(4-{2-[2-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid

Sources & evidence

ORD record
ord-0177ef08c3aa49f49616eaf5ce7d0bda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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