Acetonitrile → HCID 58496244, compound

HRID 2336009Notes

Reaction equation

HRID 2336009 reaction equation
[CH3:25][C:26]#[N:27].[CH:19]([CH2:20][CH2:21][CH:22]=[O:23])=[O:24].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]2[C:10](=[CH:15][N+:16](=[O:17])[O-:18])[NH:11][CH2:12][CH2:13][CH2:14]2)[cH:6][n:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]2[C:10]3=[C:15]([N+:16](=[O:17])[O-:18])[CH:22]4[CH2:21][CH2:20][CH:19]([N:11]3[CH2:12][CH2:13][CH2:14]2)[O:24]4)[cH:6][n:7]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 12524ButanedialHCID 167402721-[(6-Chloro-3-pyridinyl)methyl]hexahydro-2-(nitromethylene)pyrimidine

Product 1

HCID 58496244HCID 58496244, compound

Sources & evidence

ORD record
ord-ebd6c87177ef4861a850cd738e7fbb23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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