8-Amino-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 3-({2-[5-Chloro-2-(1-ethyl-5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-8-ylamino)-pyrimidin-4-ylamino]-3-fluoro-phenyl}-methyl-amino)-propionitrile
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][cH:26][c:27]2[c:28]([cH:39]1)[N:29]([CH2:37][CH3:38])[C:30](=[O:36])[CH2:31][CH2:32][C:33]2([CH3:34])[CH3:35]>>[c:2]1([NH:23][c:24]2[cH:25][cH:26][c:27]3[c:28]([cH:39]2)[N:29]([CH2:37][CH3:38])[C:30](=[O:36])[CH2:31][CH2:32][C:33]3([CH3:34])[CH3:35])[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]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-7447968c86f2418d93bd2d73d95d1462
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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