Methyl {4-[({4-[(4-butylphenyl)ethynyl]benzyl}amino)methyl]phenoxy}acetate → HCID 178440833, compound
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][NH:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[cH:32][cH:33]2)[cH:9][cH:10]1.[OH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][c:40]([OH:41])[n:42][cH:43]1>>[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][c:20]3[cH:21][cH:22][c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]3)[C:35](=[O:34])[c:37]3[cH:38][cH:39][c:40]([OH:41])[n:42][cH:43]3)[cH:32][cH:33]2)[cH:9][cH:10]1Participants
3
Sources & evidence
- ORD record
- ord-d7d98fd592c64a64b885a2e3314ed5f8
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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