1-Butanol → HCID 86755317, compound
Reaction equation
[CH2:47]([OH:48])[CH2:49][CH2:50][CH3:51].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:20][C:21]([c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)=[N:32][O:33][CH2:34][c:35]1[c:36]([C:41]([CH:42]=[O:43])=[N:44][O:45][CH3:46])[cH:37][cH:38][cH:39][cH:40]1.[ClH:8].[NH2:9][CH2:10][CH2:11][SH:12]>>[NH:9]1[CH2:10][CH2:11][S:12][CH:42]1[C:41]([c:36]1[c:35]([CH2:34][O:33][N:32]=[C:21]([CH3:20])[c:22]2[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]2)[cH:40][cH:39][cH:38][cH:37]1)=[N:44][O:45][CH3:46]Participants
7
Sources & evidence
- ORD record
- ord-fbad17c011284aae9197b9c925616d3c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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