3-Chloro-4,7-difluorobenzo[b]thiophene-2-carbonyl chloride → HCID 59683616, compound
Reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][c:14]([CH2:20][NH:21][CH:22]3[CH2:23][CH2:24][CH:25]([N:28]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH3:36])[CH2:26][CH2:27]3)[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:10][cH:11]1.[Cl:37][c:38]1[c:39]2[c:40]([s:41][c:42]1[C:43](=[O:44])[Cl:45])[c:46]([F:51])[cH:47][cH:48][c:49]2[F:50]>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][c:14]([CH2:20][N:21]([CH:22]3[CH2:23][CH2:24][CH:25]([N:28]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH3:36])[CH2:26][CH2:27]3)[C:43]([c:42]3[c:38]([Cl:37])[c:39]4[c:40]([s:41]3)[c:46]([F:51])[cH:47][cH:48][c:49]4[F:50])=[O:44])[c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:10][cH:11]1Participants
3
Sources & evidence
- ORD record
- ord-0984b92a52c14e7d9024ccdd3d1cfcce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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