3-Chlorobenzo(b)thiophene-2-carbonyl chloride → HCID 59683478, compound
Reaction equation
[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]([CH2:19][NH:20][CH:21]3[CH2:22][CH2:23][CH:24]([N:27]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH3:35])[CH2:25][CH2:26]3)[c:14]([O:17][CH3:18])[cH:15][cH:16]2)[cH:9][cH:10]1)[CH3:36].[Cl:37][c:38]1[c:39]2[c:40]([s:41][c:42]1[C:43](=[O:44])[Cl:45])[cH:46][cH:47][cH:48][cH:49]2>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]([CH2:19][N:20]([CH:21]3[CH2:22][CH2:23][CH:24]([N:27]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH3:35])[CH2:25][CH2:26]3)[C:43]([c:42]3[c:38]([Cl:37])[c:39]4[c:40]([s:41]3)[cH:46][cH:47][cH:48][cH:49]4)=[O:44])[c:14]([O:17][CH3:18])[cH:15][cH:16]2)[cH:9][cH:10]1)[CH3:36]Participants
3
Sources & evidence
- ORD record
- ord-45ca21ea01714a799aa729edc17d257d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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