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]-N-ethyl-3-fluoro-benzamide

HRID 140038Notes

Reaction equation

HRID 140038 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:35])[c:20]([NH:22][c:23]2[c:24]([C:25](=[O:26])[NH:27][CH2:28][CH3:29])[cH:30][cH:31][cH:32][c:33]2[F:34])[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:35])[c:20]([NH:22][c:23]4[c:24]([C:25](=[O:26])[NH:27][CH2:28][CH3:29])[cH:30][cH:31][cH:32][c:33]4[F:34])[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 866339272-(2,5-Dichloro-pyrimidin-4-ylamino)-N-ethyl-3-fluoro-benzamide

Product 1

HCID 251570302-[5-Chloro-2-(5,5-dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamino)-pyrimidin-4-ylamino]-N-ethyl-3-fluoro-benzamide

Sources & evidence

ORD record
ord-670b81caa70241b5a626d0bcd4ebd31b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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