Methanol → {4-[({[(4-Tert-butylphenyl)amino]carbonyl}{4-[(4-butylphenyl)-ethynyl]benzyl}amino)methyl]phenoxy}acetic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[N:14]([CH2:15][c:16]2[cH:17][cH:18][c:19]([C:22]#[C:23][c:24]3[cH:25][cH:26][c:27]([CH2:30][CH2:31][CH2:32][CH3:33])[cH:28][cH:29]3)[cH:20][cH:21]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([O:39][CH2:40][C:41](=[O:42])[O:43][CH3:44])[cH:45][cH:46]2)[cH:9][cH:10]1.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:49][OH:50].[Na+:48].[OH-:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[N:14]([CH2:15][c:16]2[cH:17][cH:18][c:19]([C:22]#[C:23][c:24]3[cH:25][cH:26][c:27]([CH2:30][CH2:31][CH2:32][CH3:33])[cH:28][cH:29]3)[cH:20][cH:21]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([O:39][CH2:40][C:41](=[O:42])[OH:43])[cH:45][cH:46]2)[cH:9][cH:10]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-2765ea76afd04671a978405a063dc06c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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