Hydrochloric Acid → 4'-[13-(4-Chlorophenyl)tridec-12-ynylamino]-2-(phenylsulfonyl)acetophenone
Reaction equation
[CH3:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Cl:13][c:14]1[cH:15][cH:16][c:17]([C:20]#[C:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][NH:33][c:34]2[cH:35][cH:36][c:37]([C:38](=[O:39])[O:40][CH3:41])[cH:42][cH:43]2)[cH:18][cH:19]1.[ClH:44].[H-:1].[Na+:2].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[CH2:3]([S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[C:38]([c:37]1[cH:36][cH:35][c:34]([NH:33][CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][C:21]#[C:20][c:17]2[cH:16][cH:15][c:14]([Cl:13])[cH:19][cH:18]2)[cH:43][cH:42]1)=[O:39]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-9548640412e24a358029a76ce0d06917
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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