Hydrochloric Acid → 4-Chloro-3-(3-{[5-cyano-2-propyl-4-(trifluoromethyl)-1H-indol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)benzoic acid

HRID 1215065Notes

Reaction equation

HRID 1215065 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[Cl:1][c:2]1[c:3](-[c:12]2[n:13][c:14]([CH2:17][n:18]3[c:19]([CH2:33][CH2:34][CH3:35])[cH:20][c:21]4[c:22]([C:29]([F:30])([F:31])[F:32])[c:23]([C:27]#[N:28])[cH:24][cH:25][c:26]34)[n:15][o:16]2)[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[ClH:37].[OH2:36]>>[Cl:1][c:2]1[c:3](-[c:12]2[n:13][c:14]([CH2:17][n:18]3[c:19]([CH2:33][CH2:34][CH3:35])[cH:20][c:21]4[c:22]([C:29]([F:30])([F:31])[F:32])[c:23]([C:27]#[N:28])[cH:24][cH:25][c:26]34)[n:15][o:16]2)[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:10][cH:11]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 962WaterHCID 312751,4-DioxaneHCID 57800414Methyl 4-chloro-3-(3-{[5-cyano-2-propyl-4-(trifluoromethyl)-1H-indol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)benzoate

Product 1

HCID 578004394-Chloro-3-(3-{[5-cyano-2-propyl-4-(trifluoromethyl)-1H-indol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)benzoic acid

Sources & evidence

ORD record
ord-87883fe2066a45f2b3cbc484ba883727
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…