10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepin-3-carboxylic acid → HCID 13013940, compound
Reaction equation
[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:13][c:14]([C:17](=[O:18])[OH:19])[cH:15][cH:16]2)[S:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[O:20]=[C:21]1[c:22]2[cH:23][cH:24][c:25]([C:26]([OH:27])=[O:28])[cH:29][c:30]2[S:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[NH:38]1>>[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:13][c:14]([C:17](=[O:18])[O:19][CH3:21])[cH:15][cH:16]2)[S:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2Participants
3
Sources & evidence
- ORD record
- ord-ad3d2803989c4e0180c1b0ce5fbe5aab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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