1,4-Dioxane → 2-{5-Methyl-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-6-sulfonic acid benzhydryl-amide
Reaction equation
[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:14][S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]2[c:22]([s:23][c:24](-[c:26]3[n:27][c:28]([Cl:33])[n:29][cH:30][c:31]3[CH3:32])[cH:25]2)[cH:34]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[NH2:44][CH2:45][CH2:46][CH2:47][N:48]1[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]1>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:14][S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]2[c:22]([s:23][c:24](-[c:26]3[n:27][c:28]([NH:44][CH2:45][CH2:46][CH2:47][N:48]4[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]4)[n:29][cH:30][c:31]3[CH3:32])[cH:25]2)[cH:34]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-a985a018d18b4753ae967827cc5b8b32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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