Methanol → 4-(4-Carboxymethyl-phenylethynyl)-2-[(cyclopropyl-methyl-amino)-methyl]-benzoic acid isopropyl ester
Reaction equation
[CH3:41][OH:42].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[c:7]([CH2:25][N:26]([CH3:27])[CH:28]2[CH2:29][CH2:30]2)[cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[cH:18][cH:19]2)[cH:10][cH:11]1)=[O:31].[Li+:40].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH-:39].[OH2:37].[OH2:38]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[c:7]([CH2:25][N:26]([CH3:27])[CH:28]2[CH2:29][CH2:30]2)[cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([CH2:20][C:21](=[O:22])[OH:23])[cH:18][cH:19]2)[cH:10][cH:11]1)=[O:31]Participants
7
Sources & evidence
- ORD record
- ord-92621d1f72274dab9488cece263a2500
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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