Acetonitrile → HCID 68784225, compound

HRID 1116288Notes

Reaction equation

HRID 1116288 reaction equation
[Br: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][S:18]([NH2:19])(=[O:20])=[O:21])[cH:5][cH:6][cH:7]1.[CH3:22][c:23]1[cH:24][nH:25][c:26]2[n:27][cH:28][n:29][c:30]([N:32]3[CH2:33][CH:34]([CH3:38])[NH:35][CH2:36][CH2:37]3)[c:31]12.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:46][C:47]#[N:48]>>[Br:1][c:2]1[cH:3][c:4]([NH:8][C:9](=[N:17][S:18]([NH2:19])(=[O:20])=[O:21])[N:35]2[CH:34]([CH3:38])[CH2:33][N:32]([c:30]3[n:29][cH:28][n:27][c:26]4[nH:25][cH:24][c:23]([CH3:22])[c:31]43)[CH2:37][CH2:36]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 687285275-methyl-4-(3-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidineHCID 68729453HCID 68729453, compound

Product 1

HCID 68784225HCID 68784225, compound

Sources & evidence

ORD record
ord-7bd1ff2042484eccaacd435fc857392b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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