Acetonitrile → HCID 25061102, compound

HRID 663409Notes

Reaction equation

HRID 663409 reaction equation
[CH3:33][C:34]#[N:35].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH2:11]2.[O:21]1[CH2:22][O:23][c:24]2[c:25]1[cH:26][cH:27][c:28]([CH:30]([CH3:31])[NH2:32])[cH:29]2>>[c:2]1([NH:32][CH:30]([c:28]2[cH:27][cH:26][c:25]3[c:24]([cH:29]2)[O:23][CH2:22][O:21]3)[CH3:31])[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][CH2:9][N:10]([c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[CH2:11]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 1294981-(2H-1,3-Benzodioxol-5-yl)ethan-1-amineHCID 598406882-(4-Chloro-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

Product 1

HCID 25061102HCID 25061102, compound

Sources & evidence

ORD record
ord-b094458de8864a8f89797489003ee07c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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