Chloride → 4-{2-[2-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-benzoic acid ethyl ester

HRID 199616Notes

Reaction equation

HRID 199616 reaction equation
[CH2:32]([CH3:33])[O:34][C:35]([c:36]1[cH:37][c:38]([F:43])[c:39]([NH2:42])[cH:40][cH:41]1)=[O:44].[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[Cl-:27].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[c:15]([c:16]2[CH:17]([C:18](=[O:19])[OH:20])[CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:14][CH2:13][CH2:12][CH2:11]3)[cH:6][cH:7]1.[S:28]([Cl:29])([Cl:30])=[O:31]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[c:15]([c:16]2[CH:17]([C:18](=[O:19])[NH:42][c:39]2[c:38]([F:43])[cH:37][c:36]([C:35]([O:34][CH2:32][CH3:33])=[O:44])[cH:41][cH:40]2)[CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:14][CH2:13][CH2:12][CH2:11]3)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 312ChlorideHCID 142844-(Dimethylamino)pyridineHCID 24386Thionyl ChlorideHCID 20536493Ethyl 4-amino-3-fluorobenzoateHCID 67131112[2-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-cyclohexyl-acetic acid

Product 1

HCID 671312674-{2-[2-(4-Chloro-phenyl)-4,5,6,7-tetrahydro-2H-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-benzoic acid ethyl ester

Sources & evidence

ORD record
ord-a0de1dcd4c874a26adf52ae77aabb360
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…