Acetonitrile → HCID 11374665, compound

HRID 667947Notes

Reaction equation

HRID 667947 reaction equation
[Br:1][CH:2]([c:3]1[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9][cH:10]1)[c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1.[CH3:44][C:45]#[N:46].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[F:18][c:19]1[cH:20][c:21]([C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[C:31]2[CH2:32][NH:33][CH2:34]2)[cH:22][c:23]([F:25])[cH:24]1>>[CH:2]([c:3]1[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9][cH:10]1)([c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[N:33]1[CH2:32][C:31](=[C:26]([c:21]2[cH:20][c:19]([F:18])[cH:24][c:23]([F:25])[cH:22]2)[C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:34]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 670553513-[Bromo(4-chlorophenyl)methyl]benzonitrileHCID 670658933-[1-(3,5-Difluorophenyl)-2,2-dimethylpropylidene]azetidine

Product 1

HCID 11374665HCID 11374665, compound

Sources & evidence

ORD record
ord-c02e95fa920f48e8a6f1be4e190138dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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