Dimethyl Sulfoxide → 6-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

HRID 289330Notes

Reaction equation

HRID 289330 reaction equation
[CH2:39]([O:40][C:41](=[O:42])[CH3:43])[CH3:44].[CH3:35][S:36]([CH3:37])=[O:38].[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Cl:1][c:2]1[n:3][c:4]([Cl:11])[c:5]2[c:6]([n:7]1)[nH:8][cH:9][cH:10]2.[NH2:21][c:22]1[cH:23][c:24]2[c:25]([cH:33][cH:34]1)[O:26][C:27]([CH3:31])([CH3:32])[C:28](=[O:30])[NH:29]2>>[Cl:1][c:2]1[n:3][c:4]([NH:21][c:22]2[cH:23][c:24]3[c:25]([cH:33][cH:34]2)[O:26][C:27]([CH3:31])([CH3:32])[C:28](=[O:30])[NH:29]3)[c:5]2[c:6]([n:7]1)[nH:8][cH:9][cH:10]2

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 136654966-Amino-2,2-dimethyl-2H-benzo[B][1,4]oxazin-3(4H)-oneHCID 141168712,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine

Product 1

HCID 866280386-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Sources & evidence

ORD record
ord-92f1e2f33f5a4dc1b7e6dab039580ce7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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