Hydrochloric Acid → 2-(4-{1-Ethyl-1-[4-(3-ethyl-3-hydroxy-pent-1-ynyl)-3-methyl-phenyl]-propyl}-2-methyl-benzoylamino)-2-methyl-propionic acid methyl ester
Reaction equation
[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:20])[c:9]([C:12]#[C:13][C:14]([CH2:15][CH3:16])([OH:17])[CH2:18][CH3:19])[cH:10][cH:11]1)[c:21]1[cH:22][c:23]([CH3:30])[c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]1.[CH3:32][O:33][C:34]([C:35]([CH3:36])([CH3:37])[NH2:38])=[O:39].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[ClH:31].[OH2:40].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:20])[c:9]([C:12]#[C:13][C:14]([CH2:15][CH3:16])([OH:17])[CH2:18][CH3:19])[cH:10][cH:11]1)[c:21]1[cH:22][c:23]([CH3:30])[c:24]([C:25](=[O:26])[NH:38][C:35]([C:34]([O:33][CH3:32])=[O:39])([CH3:36])[CH3:37])[cH:28][cH:29]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-ccbcb2f5937145229d65e30a6f68261a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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