Chloride → Methyl (2-bromo-5-(3-amino-4-(phenylethynyl)benzoyl)thiophen-3-yl)acetate
Reaction equation
[Br:1][c:2]1[s:3][c:4]([C:12]([c:13]2[cH:14][c:15]([N+:27]([O-:28])=[O:29])[c:16]([C:19]#[C:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18]2)=[O:30])[cH:5][c:6]1[CH2:7][C:8](=[O:9])[O:10][CH3:11].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cl-:33].[Na+:38].[O-:34][C:35]([OH:36])=[O:37].[OH2:31].[OH2:32]>>[Br:1][c:2]1[s:3][c:4]([C:12]([c:13]2[cH:14][c:15]([NH2:27])[c:16]([C:19]#[C:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18]2)=[O:30])[cH:5][c:6]1[CH2:7][C:8](=[O:9])[O:10][CH3:11]Participants
7
Sources & evidence
- ORD record
- ord-18ead62b6f9047c38ec7dfa2db084885
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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