Acetic Acid → 3-Chloro-2-(4-{3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperazin-1-yl)-phenylamine

HRID 1114881Notes

Reaction equation

HRID 1114881 reaction equation
[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][CH2:48][OH:49].[Cl:1][c:2]1[c:3]([N:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][CH2:19][n:20]3[n:21][c:22](-[c:33]4[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]4)[c:23]4[c:28]3[CH2:27][CH2:26][N:25]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:24]4)[CH2:15][CH2:16]2)[c:4]([N+:8]([O-:9])=[O:10])[cH:5][cH:6][cH:7]1.[Zn:50]>>[Cl:1][c:2]1[c:3]([N:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][CH2:19][n:20]3[n:21][c:22](-[c:33]4[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]4)[c:23]4[c:28]3[CH2:27][CH2:26][N:25]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:24]4)[CH2:15][CH2:16]2)[c:4]([NH2:8])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 23994ZincHCID 179754011-{3-[4-(2-chloro-6-nitro-phenyl)-piperazin-1-yl]-propyl}-5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Product 1

HCID 102107373-Chloro-2-(4-{3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperazin-1-yl)-phenylamine

Sources & evidence

ORD record
ord-c1c9baaf8e50496eab24b5b4df4a2aa1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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