3-[(3-Chloropropyl)thio]-4-methyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole → Hydrochloric Acid

HRID 193343Notes

Reaction equation

HRID 193343 reaction equation
[CH3:1][c:2]1[n:3][o:4][c:5]2[cH:6][c:7]3[c:8]([cH:14][c:15]12)[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]3.[Cl:16][CH2:17][CH2:18][CH2:19][S:20][c:21]1[n:22][n:23][c:24](-[c:27]2[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[n:25]1[CH3:26]>>[CH3:1][c:2]1[n:3][o:4][c:5]2[cH:6][c:7]3[c:8]([cH:14][c:15]12)[CH2:9][CH2:10][N:11]([CH2:17][CH2:18][CH2:19][S:20][c:21]1[n:22][n:23][c:24](-[c:27]2[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[n:25]1[CH3:26])[CH2:12][CH2:13]3.[ClH:16]

Participants

4

Reactant 2

HCID 591505083-[(3-Chloropropyl)thio]-4-methyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazoleHCID 591505103-methyl-6,7,8,9-tetrahydro-5H-isoxazolo[4,5-h][3]benzazepine

Product 2

HCID 313Hydrochloric AcidHCID 11518972CID 11518972

Sources & evidence

ORD record
ord-880a31b4c7cc4bba9911777c2bf2cb92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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