N-[2-[N-(4-fluorobenzyl)-N-(2-pyridyl)amino]ethyl]-N-methyl-1,4-butanediamine → HCID 178483536, compound
Reaction equation
[C:25](#[N:26])[NH:27][C:28]([O:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[N:36][CH2:37][CH2:38][S:39][CH2:40][c:41]1[n:42][c:43]([NH:46][C:47](=[NH:48])[NH2:49])[s:44][cH:45]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][N:16]([CH2:17][CH2:18][CH2:19][CH2:20][NH2:21])[CH3:22])[cH:23][cH:24]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][N:16]([CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:28]([NH:27][C:25]#[N:26])=[N:36][CH2:37][CH2:38][S:39][CH2:40][c:41]2[n:42][c:43]([NH:46][C:47](=[NH:48])[NH2:49])[s:44][cH:45]2)[CH3:22])[cH:23][cH:24]1Participants
3
Sources & evidence
- ORD record
- ord-7ba66f981daa4922a46308e7aa4dd9e1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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