Acetonitrile → HCID 25061101, compound

HRID 1224299Notes

Reaction equation

[CH2:21]([c:22]1[cH:23][c:24]2[c:28]([cH:29][cH:30]1)[O:27][CH2:26][O:25]2)[NH2:31].[CH3:32][C:33]#[N:34].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[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>>[c:2]1([NH:31][CH2:21][c:22]2[cH:23][c:24]3[c:28]([cH:29][cH:30]2)[O:27][CH2:26][O:25]3)[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

Reactant 4

HCID 6342Acetonitrile

HCID 75799Benzo-1,3-dioxole-5-methylamine

HCID 81531Diisopropylethylamine

HCID 598406882-(4-Chloro-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

Product 1

HCID 25061101HCID 25061101, compound

Sources & evidence

ORD record: ord-f29cb2a8576046f9abe5d28fd51e777f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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