Acetonitrile → (2-Methoxy-pyridin-4-yl)-[6-(4-chloromethyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine

HRID 1240329Notes

Reaction equation

HRID 1240329 reaction equation
[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][c:7]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[nH:16][c:17](-[c:19]2[cH:20][cH:21][c:22]([CH2:25][OH:26])[cH:23][cH:24]2)[cH:18]3)[cH:8]1.[CH3:31][C:32]#[N:33].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[S:27]([Cl:28])([Cl:29])=[O:30]>>[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][c:7]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[nH:16][c:17](-[c:19]2[cH:20][cH:21][c:22]([CH2:25][Cl:29])[cH:23][cH:24]2)[cH:18]3)[cH:8]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 24386Thionyl ChlorideHCID 312751,4-DioxaneHCID 69180544{4-[4-(2-methoxy-pyridin-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenyl}-methanol

Product 1

HCID 69182275(2-Methoxy-pyridin-4-yl)-[6-(4-chloromethyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine

Sources & evidence

ORD record
ord-f50620093412409aa819e247b02f2dad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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