1-Isopropyl-7-nitro-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 7-{5-Chloro-4-[2-methoxy-4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-2-ylamino}-1-isopropyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
Reaction equation
[CH:1]([CH3:2])([CH3:3])[N:4]1[c:5]2[c:6]([cH:12][c:13]([N+:16]([O-:17])=[O:18])[cH:14][cH:15]2)[CH2:7][CH2:8][CH2:9][C:10]1=[O:11].[Cl:19][c:20]1[n:21][cH:22][c:23]([Cl:42])[c:24]([NH:26][c:27]2[c:28]([O:40][CH3:41])[cH:29][c:30]([N:33]3[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]3)[cH:31][cH:32]2)[n:25]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[c:5]2[c:6]([cH:12][c:13]([NH:16][c:20]3[n:21][cH:22][c:23]([Cl:42])[c:24]([NH:26][c:27]4[c:28]([O:40][CH3:41])[cH:29][c:30]([N:33]5[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]5)[cH:31][cH:32]4)[n:25]3)[cH:14][cH:15]2)[CH2:7][CH2:8][CH2:9][C:10]1=[O:11]Participants
3
Sources & evidence
- ORD record
- ord-c010e77cb2b247c9abc3e3f2cab8d9b7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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