HCID 21336305, compound → HCID 59750626, compound
Reaction equation
[CH3:1][C:2]1([N:8]2[CH2:9][CH2:10][CH:11]([N:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:21][c:22]3[n:23][c:24]([CH3:27])[s:25][cH:26]3)[CH2:12][CH2:13]2)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:28][c:29]1[n:30][c:31](-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[n:32][c:33]([CH3:38])[c:34]1[C:35](=[O:36])[OH:37]>>[CH3:1][C:2]1([N:8]2[CH2:9][CH2:10][CH:11]([N:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:21][c:22]3[n:23][c:24]([CH3:27])[s:25][cH:26]3)[CH2:12][CH2:13]2)[CH2:3][CH2:4][N:5]([C:35]([c:34]2[c:29]([CH3:28])[n:30][c:31](-[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[n:32][c:33]2[CH3:38])=[O:36])[CH2:6][CH2:7]1Participants
3
Sources & evidence
- ORD record
- ord-f8c4660581854bb1b0e3f47aea5eae72
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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