1-Butanol → HCID 18993324, compound
Reaction equation
[CH2:29]([OH:30])[CH2:31][CH2:32][CH3:33].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH:21](=[CH2:22])[c:23]1[n:24][cH:25][cH:26][cH:27][cH:28]1.[OH2:34].[c:1]1([C:7]([CH:8]2[CH2:9][NH:10][CH2:11][CH2:12][CH2:13]2)([OH:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([CH:8]2[CH2:9][N:10]([CH2:22][CH2:21][c:23]3[n:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:11][CH2:12][CH2:13]2)([OH:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-c7d1dfec633f476f87ffe38df16d949e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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