Ethanol → [5-(2,4-Bis-benzyloxy-5-chloro-phenyl)-isoxazol-3-yl]-(4-methyl-piperazin-1-yl)-methanone
Reaction equation
[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][c:16]1[c:17](-[c:31]2[cH:32][c:33]([C:36]([O:38][CH2:37][CH3:39])=[O:40])[n:34][o:35]2)[cH:18][c:19]([Cl:30])[c:20]([O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:21]1.[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH3:48][CH2:49][OH:50].[OH2:41]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:36]([c:33]2[cH:32][c:31](-[c:17]3[c:16]([O:15][CH2:8][c:9]4[cH:10][cH:11][cH:12][cH:13][cH:14]4)[cH:21][c:20]([O:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:19]([Cl:30])[cH:18]3)[o:35][n:34]2)=[O:38])[CH2:6][CH2:7]1Participants
6
Sources & evidence
- ORD record
- ord-6463405744cf46b2b26ec5fb24a18d50
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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