tert-Butyl 4-(4-aminophenyl)piperidine-1-carboxylate → 4-{4-[7-(3-tert-Butylsulfamoyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperidine-1-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][n:20][c:21]([OH:24])[n:22][n:23]23)[cH:12][cH:13][cH:14]1.[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][CH:35]([c:38]2[cH:39][cH:40][c:41]([NH2:44])[cH:42][cH:43]2)[CH2:36][CH2:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][n:20][c:21]([NH:44][c:41]4[cH:40][cH:39][c:38]([CH:35]5[CH2:34][CH2:33][N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:37][CH2:36]5)[cH:43][cH:42]4)[n:22][n:23]23)[cH:12][cH:13][cH:14]1Participants
3
Sources & evidence
- ORD record
- ord-753cab15147b4adf9adda7b5642382fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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