Acetonitrile → Benzo[1,3]dioxol-5-yl-[6-(4-chloromethyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine

HRID 309928Notes

Reaction equation

HRID 309928 reaction equation
[C:32](#[N:33])[CH3:34].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([NH:10][c:11]1[c:12]3[c:13]([n:14][cH:15][n:16]1)[nH:17][c:18](-[c:20]1[cH:21][cH:22][c:23]([CH2:26][OH:27])[cH:24][cH:25]1)[cH:19]3)[cH:9]2.[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[S:28]([Cl:29])([Cl:30])=[O:31]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([NH:10][c:11]1[c:12]3[c:13]([n:14][cH:15][n:16]1)[nH:17][c:18](-[c:20]1[cH:21][cH:22][c:23]([CH2:26][Cl:30])[cH:24][cH:25]1)[cH:19]3)[cH:9]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 24386Thionyl ChlorideHCID 312751,4-DioxaneHCID 69180666{4-[4-(Benzo[1,3]dioxol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenyl}-methanol

Product 1

HCID 69179724Benzo[1,3]dioxol-5-yl-[6-(4-chloromethyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine

Sources & evidence

ORD record
ord-968a0099883c425ca3f5ca171a82164c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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