HCID 19022435, compound → HCID 178429680, compound
Reaction equation
[NH2:15][c:16]1[s:17][cH:18][c:19]([C:21]([C:22](=[O:23])[NH:24][CH:25]2[CH:26]3[S:27][CH2:28][C:29]([CH2:37][S:38][c:39]4[n:40][c:41]5[n:42]([c:43]([CH3:45])[cH:44]4)[n:46][cH:47][c:48]5[C:49](=[O:50])[OH:51])=[C:30]([C:34](=[O:35])[OH:36])[N:31]3[C:32]2=[O:33])=[O:52])[n:20]1.[NH2:1][O:2][CH2:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][c:9]([OH:14])[c:10]([OH:11])[cH:12][cH:13]1>>[N:1]([O:2][CH2:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][c:9]([OH:14])[c:10]([OH:11])[cH:12][cH:13]1)=[C:21]([c:19]1[cH:18][s:17][c:16]([NH2:15])[n:20]1)[C:22](=[O:23])[NH:24][CH:25]1[CH:26]2[S:27][CH2:28][C:29]([CH2:37][S:38][c:39]3[n:40][c:41]4[n:42]([c:43]([CH3:45])[cH:44]3)[n:46][cH:47][c:48]4[C:49](=[O:50])[OH:51])=[C:30]([C:34](=[O:35])[OH:36])[N:31]2[C:32]1=[O:33]Participants
3
Sources & evidence
- ORD record
- ord-3ef42955a8ff4d0da94af3a647868750
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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