Acetonitrile → 11-Oxo-2,3,10,11-tetrahydro-1H-benzo[b]indeno[5,6-f] thiepin-7-carboxylic acid
Reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]([S:14][c:15]2[cH:16][c:17]3[c:21]([cH:22][cH:23]2)[CH2:20][CH2:19][CH2:18]3)[c:7]([CH2:10][C:11](=[O:12])[OH:13])[cH:8][cH:9]1.[CH3:44][C:45]#[N:46].[F:31][C:32]([F:33])([F:34])[C:35]([O:36][C:37](=[O:38])[C:39]([F:40])([F:41])[F:42])=[O:43].[OH:24][C:25]([C:26]([F:27])([F:28])[F:29])=[O:30]>>[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]2[c:7]([cH:8][cH:9]1)[CH2:10][C:11](=[O:13])[c:23]1[c:15]([cH:16][c:17]3[c:21]([cH:22]1)[CH2:20][CH2:19][CH2:18]3)[S:14]2Participants
5
Sources & evidence
- ORD record
- ord-6d4f5ad54a464cb9b61486c474293dfd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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