7-[4-(4-Methyl-piperazin-1-yl)-piperidin-1-yl]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamine → [2-(5-Chloro-2-{7-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamino]-pyrimidin-4-ylamino)-3-fluoro-phenoxy]-acetonitrile
Reaction equation
[CH3:21][N:22]1[CH2:23][CH2:24][N:25]([CH:28]2[CH2:29][CH2:30][N:31]([CH:34]3[CH2:35][CH2:36][c:37]4[c:38]([cH:41][c:42]([NH2:45])[cH:43][cH:44]4)[CH2:39][CH2:40]3)[CH2:32][CH2:33]2)[CH2:26][CH2:27]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:45][c:42]2[cH:41][c:38]3[c:37]([cH:44][cH:43]2)[CH2:36][CH2:35][CH:34]([N:31]2[CH2:30][CH2:29][CH:28]([N:25]4[CH2:24][CH2:23][N:22]([CH3:21])[CH2:27][CH2:26]4)[CH2:33][CH2:32]2)[CH2:40][CH2:39]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]1Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-dac1c430da4c48a09989212374db7753
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)