HCID 15229844, compound → HCID 86748602, compound
Reaction equation
[CH2:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[CH2:40][CH2:41][N:42]1[CH:43]1[CH2:44][CH2:45][C:46]2([CH2:47][CH:48]([OH:49])[c:50]3[cH:51][c:52]([NH:53][S:54]([CH3:55])(=[O:56])=[O:57])[cH:58][cH:59][c:60]3[O:61]2)[CH2:62][CH2:63]1.[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][C:6]2([O:7][c:8]3[c:9]([cH:13][c:14]([NH:17][S:18](=[O:19])(=[O:20])[CH3:21])[cH:15][cH:16]3)[C:10](=[O:12])[CH2:11]2)[CH2:22][CH2:23]1)[CH2:24][c:25]1[cH:26][cH:27][c:28]([C:31]#[N:32])[cH:29][cH:30]1>>[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][C:6]2([O:7][c:8]3[c:9]([cH:13][c:14]([NH:17][S:18](=[O:19])(=[O:20])[CH3:21])[cH:15][cH:16]3)[CH:10]([OH:12])[CH2:11]2)[CH2:22][CH2:23]1)[CH2:24][c:25]1[cH:26][cH:27][c:28]([C:31]#[N:32])[cH:29][cH:30]1Participants
3
Sources & evidence
- ORD record
- ord-90b0fb2fde284b5880ef742bcb09e1db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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