Hydrochloric Acid → 2-[3-(4-Chlorophenyl)-1-piperazinyl]-3-methyl-6-(4-pyridinyl)-4(3H)-pyrimidinone

HRID 113019Notes

Reaction equation

HRID 113019 reaction equation
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[Cl:23][c:24]1[n:25][c:26](-[c:32]2[cH:33][cH:34][n:35][cH:36][cH:37]2)[cH:27][c:28](=[O:31])[n:29]1[CH3:30].[Cl:38][c:39]1[cH:40][cH:41][nH:42][c:43](=[O:44])[n:45]1.[Cl:3][c:4]1[cH:5][cH:6][c:7]([CH:10]2[NH:11][CH2:12][CH2:13][NH:14][CH2:15]2)[cH:8][cH:9]1.[ClH:1].[ClH:2].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[Cl:3][c:4]1[cH:5][cH:6][c:7]([CH:10]2[NH:11][CH2:12][CH2:13][N:14]([c:24]3[n:25][c:26](-[c:32]4[cH:33][cH:34][n:35][cH:36][cH:37]4)[cH:27][c:28](=[O:31])[n:29]3[CH3:30])[CH2:15]2)[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 38702732-(4-Chlorophenyl)piperazineHCID 112760814(3H)-Pyrimidinone, 2-chloro-3-methyl-6-(4-pyridinyl)-HCID 1785178106-Chloropyrimidin-2(1H)-one

Product 1

HCID 113150472-[3-(4-Chlorophenyl)-1-piperazinyl]-3-methyl-6-(4-pyridinyl)-4(3H)-pyrimidinone

Sources & evidence

ORD record
ord-6acde095619443cc8b8800b45cb0630d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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