1-Dodecyne → 5-Dodec-1-ynyl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester
Reaction equation
[CH3:13][O:14][C:15]([c:16]1[c:17]([N:24]([CH3:25])[S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[c:18]([CH3:23])[cH:19][c:20]([Br:22])[cH:21]1)=[O:37].[CH:1]#[C:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12]>>[C:1](#[C:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[c:20]1[cH:19][c:18]([CH3:23])[c:17]([N:24]([CH3:25])[S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[c:16]([C:15]([O:14][CH3:13])=[O:37])[cH:21]1Participants
3
Sources & evidence
- ORD record
- ord-245d829b3e8a4c4ba0901d7b8116a5db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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