Hydrochloric Acid → 1-(3-Trifluoromethyl-anilino)-4-[(6-chloro-pyridin-3-yl)-methyl]-3-methylisoquinoline

HRID 1567962Notes

Reaction equation

HRID 1567962 reaction equation
[CH3:60][OH:61].[Cl:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[c:9]([CH2:10][c:11]2[cH:12][n:13][c:14]([O:15][CH3:16])[cH:17][cH:18]2)[c:19]([CH3:20])[n:21]1.[Cl:22][c:23]1[n:24][c:25]([CH3:41])[c:26]([CH2:33][c:34]2[cH:35][n:36][c:37]([Cl:40])[cH:38][cH:39]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12.[ClH:53].[F:42][C:43]([c:44]1[cH:45][c:46]([NH2:47])[cH:48][cH:49][cH:50]1)([F:51])[F:52].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1>>[c:23]1([NH:47][c:46]2[cH:45][c:44]([C:43]([F:42])([F:51])[F:52])[cH:50][cH:49][cH:48]2)[n:24][c:25]([CH3:41])[c:26]([CH2:33][c:34]2[cH:35][n:36][c:37]([Cl:40])[cH:38][cH:39]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 73753-(Trifluoromethyl)anilineHCID 312751,4-DioxaneHCID 20636400HCID 20636400, compoundHCID 20636402HCID 20636402, compound

Product 1

HCID 206363951-(3-Trifluoromethyl-anilino)-4-[(6-chloro-pyridin-3-yl)-methyl]-3-methylisoquinoline

Sources & evidence

ORD record
ord-9c1ef4c442e64497ad8e45f642e0cc9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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