HCID 58127020, compound → HCID 86650580, compound
Reaction equation
[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][c:25]1[c:26]([C:46]([OH:47])=[S:48])[n:27][c:28]2[n:29]([c:30]1=[O:31])[cH:32][cH:33][n:34]2[CH2:35][C:36](=[O:37])[N:38]1[CH2:39][CH:40]([CH3:45])[O:41][CH:42]([CH3:44])[CH2:43]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([CH2:11][CH:12]([CH:13]=[O:14])[Br:15])[cH:6][cH:7][c:8]([F:10])[cH:9]1)=[O:16]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([CH2:11][CH:12]([CH:13]=[O:14])[S:48][C:46]([c:26]2[c:25]([O:24][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:30](=[O:31])[n:29]3[c:28]([n:27]2)[n:34]([CH2:35][C:36](=[O:37])[N:38]2[CH2:39][CH:40]([CH3:45])[O:41][CH:42]([CH3:44])[CH2:43]2)[cH:33][cH:32]3)=[O:47])[cH:6][cH:7][c:8]([F:10])[cH:9]1)=[O:16]Participants
3
Sources & evidence
- ORD record
- ord-75ddd5d7cbe046d998241ad3db66a098
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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