Methanol → Methyl 5-[{4-[(4-butylphenyl)ethynyl]benzyl}(hexyl)amino]-2-hydroxybenzoate
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([c:19]3[cH:20][c:21]4[c:22]([cH:30][cH:31]3)[O:23][C:24]([CH3:28])([CH3:29])[O:25][C:26]4=[O:27])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[cH:38][cH:39]2)[cH:9][cH:10]1.[CH3:42][OH:43].[Na+:41].[OH-:40].[OH2:44]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([c:19]3[cH:20][c:21]([C:26]([O:25][CH3:24])=[O:27])[c:22]([OH:23])[cH:30][cH:31]3)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[cH:38][cH:39]2)[cH:9][cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-b1476f84fac147a596a01a48f7e811fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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