1-Butanol → HCID 12804787, compound
Reaction equation
[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[ClH:1].[K+:21].[K+:22].[O-:23][C:24]([O-:25])=[O:26].[O:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[CH2:34][CH2:35][CH2:36][Br:37].[c:2]1([CH2:8][c:9]2[c:10]([CH:15]3[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([CH2:8][c:9]2[c:10]([CH:15]3[CH2:16][CH2:17][N:18]([CH2:36][CH2:35][CH2:34][O:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:19][CH2:20]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-e295381688b0412189403ac66ad1ada5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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