Hydrochloric Acid → Methyl (4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(2-thienylsulfonyl)-amino]methyl}phenoxy)acetate
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[cH:32][cH:33]2)[cH:9][cH:10]1.[ClH:49].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1.[s:34]1[c:35]([S:39](=[O:40])(=[O:41])[Cl:42])[cH:36][cH:37][cH:38]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([CH2:19][c:20]3[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[S:39]([c:35]3[s:34][cH:38][cH:37][cH:36]3)(=[O:40])=[O:41])[cH:32][cH:33]2)[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-1867b7d0ea5f4455a0b07a153bca2326
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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