Hydrochloric Acid → Methyl (4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(ethylsulfonyl)-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.[CH2:34]([CH3:35])[S:36](=[O:37])(=[O:38])[Cl:39].[ClH:46].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]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:36]([CH2:34][CH3:35])(=[O:37])=[O:38])[cH:32][cH:33]2)[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-ed800a2d1efb4a9fb730b759e86ca081
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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