Ethanol → 1,1-Dimethylethyl 2-[[4-[2-[(carboxymethyl)(2-furanylmethyl)amino]ethyl]phenyl]thio]-2-methyl-propanoate
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([S:15][C:16]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])([CH3:24])[CH3:25])[cH:13][cH:14]1)[CH2:26][c:27]1[o:28][cH:29][cH:30][cH:31]1)=[O:32].[CH3:35][CH2:36][OH:37].[Na+:34].[OH-:33]>>[O:3]=[C:4]([CH2:5][N:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([S:15][C:16]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])([CH3:24])[CH3:25])[cH:13][cH:14]1)[CH2:26][c:27]1[o:28][cH:29][cH:30][cH:31]1)[OH:32]Participants
5
Sources & evidence
- ORD record
- ord-edb165b39a6e497f958b2fc1b640a03a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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