Dichloromethane → 4-[2-(5-{2-[3-(3-tert-Butyl-isoxazol-5-yl)-ureidomethyl]-4-fluorophenoxy}-indazol-1-yl)-ethyl]-piperazine-1-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][n:16]2[n:17][cH:18][c:19]3[cH:20][c:21]([O:25][c:26]4[c:27]([CH2:33][NH2:34])[cH:28][c:29]([F:32])[cH:30][cH:31]4)[cH:22][cH:23][c:24]23)[CH2:12][CH2:13]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl:57][CH2:58][Cl:59].[N+:35]([c:36]1[cH:37][cH:38][c:39]([O:44][C:45](=[O:40])[NH:46][c:47]2[cH:48][c:49]([C:52]([CH3:53])([CH3:54])[CH3:55])[n:50][o:51]2)[cH:41][cH:42]1)([O-:43])=[O:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][n:16]2[n:17][cH:18][c:19]3[cH:20][c:21]([O:25][c:26]4[c:27]([CH2:33][NH:34][C:45](=[O:44])[NH:46][c:47]5[cH:48][c:49]([C:52]([CH3:53])([CH3:54])[CH3:55])[n:50][o:51]5)[cH:28][c:29]([F:32])[cH:30][cH:31]4)[cH:22][cH:23][c:24]23)[CH2:12][CH2:13]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-f122fa53a1da4c1abd26957cac084e7f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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