3-Phenylisoxazole-5-carboxylic Acid → HCID 178473818, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[N:12]2[CH2:13][CH:14]([c:20]3[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]3)[CH:15]([NH:18][CH3:19])[CH2:16][CH2:17]2)[CH2:8][CH2:9]1.[c:28]1(-[c:34]2[n:35][o:36][c:37]([C:39](=[O:40])[OH:41])[cH:38]2)[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][CH:7]([C:10](=[O:11])[N:12]2[CH2:13][CH:14]([c:20]3[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]3)[CH:15]([N:18]([CH3:19])[C:39]([c:37]3[o:36][n:35][c:34](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:38]3)=[O:41])[CH2:16][CH2:17]2)[CH2:8][CH2:9]1Participants
3
Sources & evidence
- ORD record
- ord-668e4988dd8549bab64644a9e006aa2d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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