1,2-Dichloroethane → [2-(3-{3-[(2-chloro-3-trifluoromethyl-benzyl)-diphenylethyl-amino]-propoxy}-phenyl)-ethylamino]-acetic Acid Methyl Ester
Reaction equation
[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH3:41][O:42][C:43]([CH2:44][NH2:45])=[O:46].[CH3:61][C:62](=[O:63])[OH:64].[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([CH2:16][CH:17]=[O:18])[cH:13][cH:14][cH:15]2)[CH2:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][c:36]1[C:37]([F:38])([F:39])[F:40].[Cl:65][CH2:66][CH2:67][Cl:68].[Na+:60]>>[Cl:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][c:12]([CH2:16][CH2:17][NH:45][CH2:44][C:43]([O:42][CH3:41])=[O:46])[cH:13][cH:14][cH:15]2)[CH2:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][c:36]1[C:37]([F:38])([F:39])[F:40]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-5e9a04b75a644b0a996ab7e91d15615b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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