Acetic Acid → 1-{2-[3-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2-ethylphenyl]ethyl}-3-pyrrolidinecarboxylic acid
Reaction equation
[C:36]([OH:37])(=[O:38])[CH3:39].[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][n:14][c:15](-[c:17]3[c:18]([CH2:26][CH3:27])[c:19]([CH2:23][CH:24]=[O:25])[cH:20][cH:21][cH:22]3)[s:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Cl:54][CH2:55][Cl:56].[NH:28]1[CH2:29][CH:30]([C:33](=[O:34])[OH:35])[CH2:31][CH2:32]1.[Na+:53].[OH2:57]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][n:14][c:15](-[c:17]3[c:18]([CH2:26][CH3:27])[c:19]([CH2:23][CH2:24][N:28]4[CH2:29][CH:30]([C:33](=[O:34])[OH:35])[CH2:31][CH2:32]4)[cH:20][cH:21][cH:22]3)[s:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-905580846df04499b1bf0fe6192e4f77
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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