3-(2-Methoxyethyl)-2,3,4,5-tetrahydro-1h-3-benzazepin-7-amine → (2-{5-Chloro-2-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamino]-pyrimidin-4-ylamino}-3-fluoro-phenoxy)-acetonitrile

HRID 145279Notes

Reaction equation

HRID 145279 reaction equation
[CH3:21][O:22][CH2:23][CH2:24][N:25]1[CH2:26][CH2:27][c:28]2[c:29]([cH:32][c:33]([NH2:36])[cH:34][cH:35]2)[CH2:30][CH2:31]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([O:11][CH2:12][C:13]#[N:14])[cH:15][cH:16][cH:17][c:18]2[F:19])[n:7]1>>[c:2]1([NH:36][c:33]2[cH:32][c:29]3[c:28]([cH:35][cH:34]2)[CH2:27][CH2:26][N:25]([CH2:24][CH2:23][O:22][CH3:21])[CH2:31][CH2:30]3)[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([O:11][CH2:12][C:13]#[N:14])[cH:15][cH:16][cH:17][c:18]2[F:19])[n:7]1

Participants

3

Reactant 2

HCID 574160893-(2-Methoxyethyl)-2,3,4,5-tetrahydro-1h-3-benzazepin-7-amineHCID 86633948[2-(2,5-Dichloropyrimidin-4-ylamino)-3-fluorophenoxy]-acetonitrile

Product 1

HCID 66830510(2-{5-Chloro-2-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamino]-pyrimidin-4-ylamino}-3-fluoro-phenoxy)-acetonitrile

Sources & evidence

ORD record
ord-913ce337ebfe4a1bbc81f0dc1a83d9e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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