HCID 22033290, compound → HCID 86759255, compound
Reaction equation
[CH3:30][S:31][C:32](=[CH:33][N+:34](=[O:35])[O-:36])[NH:37][CH2:38][CH2:39][CH2:40][C:41]([C:42]([F:43])([F:44])[F:45])([F:46])[F:47].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]1[C:12]([CH3:22])([c:23]2[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]2)[CH2:13][S:14][c:15]2[cH:16][c:17]([OH:21])[cH:18][cH:19][c:20]21>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]1[C:12]([CH3:22])([c:23]2[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]2)[CH2:13][S:14][c:15]2[cH:16][c:17]([OH:21])[cH:18][cH:19][c:20]21)[C:32](=[CH:33][N+:34](=[O:35])[O-:36])[NH:37][CH2:38][CH2:39][CH2:40][C:41]([C:42]([F:43])([F:44])[F:45])([F:46])[F:47]Participants
3
Sources & evidence
- ORD record
- ord-73c5ff335c6e4258bc970f1987decc48
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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