Acetonitrile → HCID 178430832, compound

HRID 676796Notes

Reaction equation

HRID 676796 reaction equation
[C:1](#[N:2])[N:3]=[C:4]([NH:5][c:6]1[cH:7][c:8]([F:12])[cH:9][cH:10][cH:11]1)[O:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:39][c:40]1[cH:41][nH:42][c:43]2[n:44][cH:45][n:46][c:47]([N:49]3[CH2:50][CH:51]([CH3:55])[NH:52][CH2:53][CH2:54]3)[c:48]12.[CH3:65][C:66]#[N:67].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:20][c:21]1[cH:22][c:23]([NH:24][C:25](=[N:26][C:27]#[N:28])[O:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38]1>>[C:1](#[N:2])[N:3]=[C:4]([NH:5][c:6]1[cH:7][c:8]([F:12])[cH:9][cH:10][cH:11]1)[N:52]1[CH:51]([CH3:55])[CH2:50][N:49]([c:47]2[n:46][cH:45][n:44][c:43]3[nH:42][cH:41][c:40]([CH3:39])[c:48]32)[CH2:54][CH2:53]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 687285275-methyl-4-(3-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidineHCID 178512252HCID 178512252, compoundHCID 178512254HCID 178512254, compound

Product 1

HCID 178430832HCID 178430832, compound

Sources & evidence

ORD record
ord-b096f6a4551448548b3ef2e3706aecd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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