HCID 58154279, compound → HCID 44476132, compound
Reaction equation
[I:1][c:2]1[c:3]([CH3:12])[cH:4][cH:5][c:6]2[c:7]([NH2:11])[n:8][o:9][c:10]12.[O:13]1[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][O:21][CH:22]2[CH2:23][CH2:24][C:25]3([CH2:26][CH2:27]2)[C:28](=[O:45])[NH:29][c:30]2[cH:31][c:32]([B:36]4[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]4)[cH:33][cH:34][c:35]23)[CH2:17][CH2:18]1>>[c:2]1(-[c:32]2[cH:31][c:30]3[c:35]([cH:34][cH:33]2)[C:25]2([CH2:24][CH2:23][CH:22]([O:21][CH2:20][CH2:19][N:16]4[CH2:15][CH2:14][O:13][CH2:18][CH2:17]4)[CH2:27][CH2:26]2)[C:28](=[O:45])[NH:29]3)[c:3]([CH3:12])[cH:4][cH:5][c:6]2[c:7]([NH2:11])[n:8][o:9][c:10]12Participants
3
Sources & evidence
- ORD record
- ord-6455006e43974dcaac39e28d8eb5b0bb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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