Hydrochloric Acid → 3-(2-chloro-6-fluorophenyl)-5-(1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4-(4-methoxythiazol-2-yl)isoxazole

HRID 93769Notes

Reaction equation

HRID 93769 reaction equation
[CH3:36][I:37].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12](-[c:20]3[cH:21][n:22][n:23](-[c:29]4[cH:30][c:31]([F:35])[cH:32][cH:33][cH:34]4)[c:24]3[C:25]([F:26])([F:27])[F:28])[c:13]2-[c:14]2[s:15][cH:16][c:17]([OH:19])[n:18]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Cl:48][C:49]([Cl:50])([Cl:51])[Cl:52].[ClH:40].[Na+:39].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH-:38].[OH2:47]>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12](-[c:20]3[cH:21][n:22][n:23](-[c:29]4[cH:30][c:31]([F:35])[cH:32][cH:33][cH:34]4)[c:24]3[C:25]([F:26])([F:27])[F:28])[c:13]2-[c:14]2[s:15][cH:16][c:17]([O:19][CH3:36])[n:18]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 5943Carbon TetrachlorideHCID 6328Methyl iodideHCID 312751,4-DioxaneHCID 86668518HCID 86668518, compound

Product 1

HCID 601487513-(2-chloro-6-fluorophenyl)-5-(1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4-(4-methoxythiazol-2-yl)isoxazole

Sources & evidence

ORD record
ord-b3d79ff4866d402bad48c5d88299944b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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