8-Amino-1-(2-methoxy-ethyl)-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → (2-{5-Chloro-2-[1-(2-methoxy-ethyl)-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-8-ylamino]-pyrimidin-4-ylamino}-3-fluoro-phenoxy)-acetonitrile

HRID 1210690Notes

Reaction equation

HRID 1210690 reaction equation
[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.[NH2:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([cH:39]1)[N:27]([CH2:35][CH2:36][O:37][CH3:38])[C:28](=[O:34])[CH2:29][CH2:30][C:31]2([CH3:32])[CH3:33]>>[c:2]1([NH:21][c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:39]2)[N:27]([CH2:35][CH2:36][O:37][CH3:38])[C:28](=[O:34])[CH2:29][CH2:30][C:31]3([CH3:32])[CH3:33])[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 672641658-Amino-1-(2-methoxy-ethyl)-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 86633948[2-(2,5-Dichloropyrimidin-4-ylamino)-3-fluorophenoxy]-acetonitrile

Product 1

HCID 66830457(2-{5-Chloro-2-[1-(2-methoxy-ethyl)-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-8-ylamino]-pyrimidin-4-ylamino}-3-fluoro-phenoxy)-acetonitrile

Sources & evidence

ORD record
ord-3ad48d2b21464d8496b5809485d4ce29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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