Ammonium → 4-[3-(3-aminophenyl)-1-(4-methoxybenzyl)-1H-pyrazol-4-yl]-N-tert-butyl-pyridin-2-amine

HRID 1535329Notes

Reaction equation

HRID 1535329 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][c:6]1[n:7][cH:8][cH:9][c:10](-[c:12]2[c:13](-[c:26]3[cH:27][c:28]([N+:32]([O-:33])=[O:34])[cH:29][cH:30][cH:31]3)[n:14][n:15]([CH2:17][c:18]3[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]3)[cH:16]2)[cH:11]1.[Cl-:36].[NH4+:37].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH2:35].[Zn:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][c:6]1[n:7][cH:8][cH:9][c:10](-[c:12]2[c:13](-[c:26]3[cH:27][c:28]([NH2:32])[cH:29][cH:30][cH:31]3)[n:14][n:15]([CH2:17][c:18]3[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]3)[cH:16]2)[cH:11]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 962WaterHCID 23994ZincHCID 312751,4-DioxaneHCID 67185904N-tert-butyl-4-[1-(4-methoxybenzyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridin-2-amine

Product 1

HCID 671840184-[3-(3-aminophenyl)-1-(4-methoxybenzyl)-1H-pyrazol-4-yl]-N-tert-butyl-pyridin-2-amine

Sources & evidence

ORD record
ord-76dba66ffa914d27a17ac4a5cbf9494b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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