7-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 3-({2-[5-Chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-ylamino)-pyrimidin-4-ylamino]-3-fluoro-phenyl}-methyl-amino)-propionitrile

HRID 171019Notes

Reaction equation

HRID 171019 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:22])[c:6]([NH:8][c:9]2[c:10]([N:16]([CH2:17][CH2:18][C:19]#[N:20])[CH3:21])[cH:11][cH:12][cH:13][c:14]2[F:15])[n:7]1.[NH2:23][c:24]1[cH:25][c:26]2[c:27]([cH:36][cH:37]1)[NH:28][C:29](=[O:35])[CH2:30][CH2:31][C:32]2([CH3:33])[CH3:34]>>[c:2]1([NH:23][c:24]2[cH:25][c:26]3[c:27]([cH:36][cH:37]2)[NH:28][C:29](=[O:35])[CH2:30][CH2:31][C:32]3([CH3:33])[CH3:34])[n:3][cH:4][c:5]([Cl:22])[c:6]([NH:8][c:9]2[c:10]([N:16]([CH2:17][CH2:18][C:19]#[N:20])[CH3:21])[cH:11][cH:12][cH:13][c:14]2[F:15])[n:7]1

Participants

3

Reactant 2

HCID 578538307-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 866339893-{[2-(2,5-Dichloro-pyrimidin-4-ylamino)-3-fluoro-phenyl]-methyl-amino}-propionitrile

Product 1

HCID 668299433-({2-[5-Chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-ylamino)-pyrimidin-4-ylamino]-3-fluoro-phenyl}-methyl-amino)-propionitrile

Sources & evidence

ORD record
ord-532eb622d0d74900b3b4b758a508633d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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