5,5-Dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamine → {2-[5-Chloro-2-(5,5-dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamino)-pyrimidin-4-ylamino]-phenoxy}-acetonitrile

HRID 87444Notes

Reaction equation

HRID 87444 reaction equation
[CH3:1][C:2]1([CH3:14])[c:3]2[c:4]([c:9]([NH2:13])[cH:10][cH:11][cH:12]2)[O:5][CH2:6][CH2:7][CH2:8]1.[Cl:15][c:16]1[n:17][cH:18][c:19]([Cl:33])[c:20]([NH:22][c:23]2[c:24]([O:25][CH2:26][C:27]#[N:28])[cH:29][cH:30][cH:31][cH:32]2)[n:21]1>>[CH3:1][C:2]1([CH3:14])[c:3]2[c:4]([c:9]([NH:13][c:16]3[n:17][cH:18][c:19]([Cl:33])[c:20]([NH:22][c:23]4[c:24]([O:25][CH2:26][C:27]#[N:28])[cH:29][cH:30][cH:31][cH:32]4)[n:21]3)[cH:10][cH:11][cH:12]2)[O:5][CH2:6][CH2:7][CH2:8]1

Participants

3

Reactant 2

HCID 672643345,5-Dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamineHCID 86633910[2-(2,5-Dichloropyrimidin-4-ylamino)-phenoxy]acetonitrile

Product 1

HCID 25159009{2-[5-Chloro-2-(5,5-dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamino)-pyrimidin-4-ylamino]-phenoxy}-acetonitrile

Sources & evidence

ORD record
ord-9dca87c97dea48518184ccbb700d302f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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