5-(5-[(3-chloropropyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylquinoline → Hydrochloric Acid

HRID 1150581Notes

Reaction equation

HRID 1150581 reaction equation
[CH3:1][c:2]1[c:3]2[c:4]([cH:5][c:6]3[c:12]1[CH2:11][CH2:10][NH:9][CH2:8][CH2:7]3)[n:13][c:14]([C:16]([F:17])([F:18])[F:19])[o:15]2.[Cl:20][CH2:21][CH2:22][CH2:23][S:24][c:25]1[n:26]([CH3:41])[c:27](-[c:30]2[c:31]3[cH:32][cH:33][c:34]([CH3:40])[n:35][c:36]3[cH:37][cH:38][cH:39]2)[n:28][n:29]1>>[CH3:1][c:2]1[c:3]2[c:4]([cH:5][c:6]3[c:12]1[CH2:11][CH2:10][N:9]([CH2:21][CH2:22][CH2:23][S:24][c:25]1[n:26]([CH3:41])[c:27](-[c:30]4[c:31]5[cH:32][cH:33][c:34]([CH3:40])[n:35][c:36]5[cH:37][cH:38][cH:39]4)[n:28][n:29]1)[CH2:8][CH2:7]3)[n:13][c:14]([C:16]([F:17])([F:18])[F:19])[o:15]2.[ClH:20]

Participants

4

Reactant 2

HCID 251050505-(5-[(3-chloropropyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylquinolineHCID 5915053010-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[4,5-h][3]benzazepine

Product 2

HCID 313Hydrochloric AcidHCID 1168554710-Methyl-7-[3-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-(trifluoromethyl)-5,6,8,9-tetrahydro-[1,3]oxazolo[4,5-h][3]benzazepine

Sources & evidence

ORD record
ord-4ca533c63fa2455394a1a1b4963f36e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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