L 636499 → 3-Hydroxymethyl-8-nitro-dibenzo[b,f]thiepin-5,5-dioxide
Reaction equation
[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:23]1)[CH:9]=[CH:10][c:11]1[c:12]([cH:16][c:17]([C:20](=[O:21])[OH:22])[cH:18][cH:19]1)[S:13]2(=[O:14])=[O:15].[cH:24]1[c:25]2[c:37]([cH:38][c:39]([C:40]([OH:41])=[O:42])[cH:43]1)[S:34](=[O:35])(=[O:36])[c:33]1[c:28]([cH:29][cH:30][cH:31][cH:32]1)[CH:27]=[CH:26]2>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:23]1)[CH:9]=[CH:10][c:11]1[c:12]([cH:16][c:17]([CH2:20][OH:21])[cH:18][cH:19]1)[S:13]2(=[O:14])=[O:15]Participants
3
Sources & evidence
- ORD record
- ord-3e9cca2a3f114f678d62f3ece2f42f47
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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