Dichloromethane → 2-(4-{3-[3-(4-Chloro-3-methyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperazin-1-yl)-benzonitrile

HRID 1536841Notes

Reaction equation

HRID 1536841 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:25][CH:26]([CH2:27][N:28]3[CH2:29][CH2:30][N:31]([c:34]4[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]4)[CH2:32][CH2:33]3)[OH:42])[n:15][c:16]2-[c:17]2[cH:18][c:19]([CH3:24])[c:20]([Cl:23])[cH:21][cH:22]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:43][CH2:44][Cl:45].[OH:46][C:47]([C:48]([F:49])([F:50])[F:51])=[O:52]>>[NH:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:25][CH:26]([CH2:27][N:28]3[CH2:29][CH2:30][N:31]([c:34]4[c:35]([C:40]#[N:41])[cH:36][cH:37][cH:38][cH:39]4)[CH2:32][CH2:33]3)[OH:42])[n:15][c:16]2-[c:17]2[cH:18][c:19]([CH3:24])[c:20]([Cl:23])[cH:21][cH:22]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 684621993-(4-Chloro-3-methyl-phenyl)-1-{3-[4-(2-cyano-phenyl)-piperazin-1-yl]-2-hydroxy-propyl}-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester

Product 1

HCID 179754122-(4-{3-[3-(4-Chloro-3-methyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-2-hydroxy-propyl}-piperazin-1-yl)-benzonitrile

Sources & evidence

ORD record
ord-7631064268f9483dbdc9788a37fee2fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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