Acetonitrile → HCID 178430830, compound

HRID 171490Notes

Reaction equation

HRID 171490 reaction equation
[CH3:20][c:21]1[cH:22][nH:23][c:24]2[n:25][cH:26][n:27][c:28]([N:30]3[CH2:31][CH:32]([CH3:36])[NH:33][CH2:34][CH2:35]3)[c:29]12.[CH3:46][C:47]#[N:48].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][c:4]([NH:8][C:9]([O:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[N:17][C:18]#[N:19])[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][C:9](=[N:17][C:18]#[N:19])[N:33]2[CH:32]([CH3:36])[CH2:31][N:30]([c:28]3[n:27][cH:26][n:25][c:24]4[nH:23][cH:22][c:21]([CH3:20])[c:29]43)[CH2:35][CH2:34]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 687285275-methyl-4-(3-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidineHCID 178512252HCID 178512252, compound

Product 1

HCID 178430830HCID 178430830, compound

Sources & evidence

ORD record
ord-9cf376d36332416aab9504254007f617
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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