N-Methylbutylamine → HCID 59490173, compound
Reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:14][c:15]2[n:16][c:17]3[c:22]([cH:23][n:24]2)[CH2:21][CH:20]([c:25]2[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]2)[c:19]2[c:18]-3[cH:38][cH:37][cH:36][cH:35]2)[cH:12][cH:13]1)(=[O:4])=[O:5].[CH3:39][NH:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51]>>[CH2:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:14][c:15]2[n:16][c:17]3[c:22]([cH:23][n:24]2)[CH2:21][CH:20]([c:25]2[c:26]([C:31]([F:32])([F:33])[F:34])[cH:27][cH:28][cH:29][cH:30]2)[c:19]2[c:18]-3[cH:38][cH:37][cH:36][cH:35]2)[cH:12][cH:13]1)[N:40]([CH3:39])[CH2:41][CH2:42][CH2:43][CH3:44]Participants
4
Sources & evidence
- ORD record
- ord-86bf73469d2a49a4ae738f8ee6c60859
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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