Dichloromethane → (+/-)-2-[1-(4-chlorobenzoyl)propyl]-4-[6-[4-(4,6-dimethyl-2-pyridinyl)-1-piperazinyl]-3-pyridinyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

HRID 686858Notes

Reaction equation

HRID 686858 reaction equation
[Br:31][c:32]1[n:33][c:34]([CH3:39])[cH:35][c:36]([CH3:38])[cH:37]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]([CH2:9][CH3:10])[n:11]2[n:12][cH:13][n:14](-[c:17]3[cH:18][n:19][c:20]([N:23]4[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]4)[cH:21][cH:22]3)[c:15]2=[O:16])[cH:29][cH:30]1.[Cl:40][CH2:41][Cl:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]([CH2:9][CH3:10])[n:11]2[n:12][cH:13][n:14](-[c:17]3[cH:18][n:19][c:20]([N:23]4[CH2:24][CH2:25][N:26]([c:32]5[n:33][c:34]([CH3:39])[cH:35][c:36]([CH3:38])[cH:37]5)[CH2:27][CH2:28]4)[cH:21][cH:22]3)[c:15]2=[O:16])[cH:29][cH:30]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 149751952-Bromo-4,6-dimethylpyridineHCID 15340579(+/-)-2-[1-(4-chlorobenzoyl)propyl]-2,4-dihydro-4-[6-(1-piperazinyl)-3-pyridinyl]-3H-1,2,4-triazol-3-one

Product 1

HCID 19969497(+/-)-2-[1-(4-chlorobenzoyl)propyl]-4-[6-[4-(4,6-dimethyl-2-pyridinyl)-1-piperazinyl]-3-pyridinyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

Sources & evidence

ORD record
ord-8be82c015dda417191dfdf63ff1a7064
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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