1-Butanol → HCID 178440919, compound
Reaction equation
[CH2:35]([OH:36])[CH2:37][CH2:38][CH3:39].[CH3:25][CH2:26][CH2:27][CH2:28][C:29]([CH2:30][CH2:31][CH2:32][CH3:33])=[O:34].[ClH:1].[nH:2]1[cH:3][c:4]([CH2:11][CH:12]([NH2:13])[c:14]2[s:15][cH:16][c:17](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:18]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[nH:2]1[c:3]2[c:4]([c:5]3[cH:6][cH:7][cH:8][cH:9][c:10]13)[CH2:11][CH:12]([c:14]1[s:15][cH:16][c:17](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:18]1)[NH:13][C:29]2([CH2:28][CH2:27][CH2:26][CH3:25])[CH2:30][CH2:31][CH2:32][CH3:33]Participants
5
Sources & evidence
- ORD record
- ord-ece2a6dd56f0462aba1cc81703a3b8e0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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