Dimethyl Sulfoxide → [tert-Butoxycarbonyl-(3-{3-[(2-chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propoxy}-phenyl)-amino]-acetic Acid Methyl Ester
Reaction equation
[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([NH:13][c:14]1[cH:15][c:16]([O:20][CH2:21][CH2:22][CH2:23][N:24]([CH2:25][CH:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:39][c:40]2[c:41]([Cl:50])[c:42]([C:46]([F:47])([F:48])[F:49])[cH:43][cH:44][cH:45]2)[cH:17][cH:18][cH:19]1)=[O:51].[CH3:3][S:4]([CH3:5])=[O:6].[CH3:52][O:53][C:54]([CH2:55][Br:56])=[O:57].[H-:1].[Na+:2].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:63]>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12]([N:13]([c:14]1[cH:15][c:16]([O:20][CH2:21][CH2:22][CH2:23][N:24]([CH2:25][CH:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:39][c:40]2[c:41]([Cl:50])[c:42]([C:46]([F:47])([F:48])[F:49])[cH:43][cH:44][cH:45]2)[cH:17][cH:18][cH:19]1)[CH2:55][C:54]([O:53][CH3:52])=[O:57])=[O:51]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-1cbf383611024972a1d3314df550d904
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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