Methanol → 2-(4-{3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-fluoro-propyl}-piperazin-1-yl)-benzonitrile

HRID 1150558Notes

Reaction equation

HRID 1150558 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([n:10]([CH2:23][CH:24]([CH2:25][N:26]3[CH2:27][CH2:28][N:29]([c:32]4[c:33]([C:34]#[N:35])[cH:36][cH:37][cH:38][cH:39]4)[CH2:30][CH2:31]3)[OH:40])[n:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[CH2:8][CH2:9]1.[CH2:41]([N:42]([S:43]([F:44])([F:45])[F:47])[CH2:46][CH3:48])[CH3:49].[CH3:50][OH:51].[Cl:52][CH2:53][Cl:54].[Cl:55][CH2:56][Cl:57]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([n:10]([CH2:23][CH:24]([CH2:25][N:26]3[CH2:27][CH2:28][N:29]([c:32]4[c:33]([C:34]#[N:35])[cH:36][cH:37][cH:38][cH:39]4)[CH2:30][CH2:31]3)[F:47])[n:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 887MethanolHCID 6344Dichloromethane2×HCID 123472(Diethylamino)sulfur trifluorideHCID 103028372-(4-{3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperazin-1-yl)-benzonitrile

Product 1

HCID 102809672-(4-{3-[5-Acetyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-fluoro-propyl}-piperazin-1-yl)-benzonitrile

Sources & evidence

ORD record
ord-7a31fe9c2f55432fa4936917e0936688
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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