Sodium ion → Methyl 4-({{4-[(4-butylphenyl)ethynyl]benzyl}[2-(4-chlorophenyl)-ethyl]amino}methyl)benzoate
Reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[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][NH:18][CH2:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[cH:28][cH:29]2)[cH:9][cH:10]1.[CH:30](=[O:31])[c:32]1[cH:33][cH:34][c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41]1.[Na+:55].[OH2:56]>>[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]([CH2:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[CH2:30][c:32]3[cH:33][cH:34][c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41]3)[cH:28][cH:29]2)[cH:9][cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-6d3b64a6f1884e17a4878c6acf39d71f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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