Acetonitrile → 1-[4-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

HRID 94538Notes

Reaction equation

HRID 94538 reaction equation
[CH3:1][N:2]1[CH2:3][CH:4]2[N:5]([c:10]3[cH:11][cH:12][c:13]([N:16]4[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]4)[cH:14][cH:15]3)[CH2:6][CH2:7][CH:8]2[CH2:9]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][C:38]#[N:39].[Cl:22][c:23]1[n:24][n:25][c:26]([Cl:29])[cH:27][cH:28]1>>[CH3:1][N:2]1[CH2:3][CH:4]2[N:5]([c:10]3[cH:11][cH:12][c:13]([N:16]4[CH2:17][CH2:18][N:19]([c:26]5[n:25][n:24][c:23]([Cl:22])[cH:28][cH:27]5)[CH2:20][CH2:21]4)[cH:14][cH:15]3)[CH2:6][CH2:7][CH:8]2[CH2:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 673313,6-DichloropyridazineHCID 693330475-Methyl-1-(4-piperazin-1-ylphenyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

Product 1

HCID 877237091-[4-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]phenyl]-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

Sources & evidence

ORD record
ord-1809004841ab4c3c9e2cba25af02d01e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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