1-Butanol → HCID 22989316, compound
Reaction equation
[C:50](=[O:51])([O-:52])[OH:53].[CH2:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH:46]([CH3:47])[CH3:48])[CH3:49].[CH2:55]([OH:56])[CH2:57][CH2:58][CH3:59].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[n:8][c:9](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[n:10]2.[Na+:54].[OH2:60].[c:17]1([CH:23]([O:24][CH:25]2[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][CH2:33][NH2:34])[CH2:29][CH2:30]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[c:2]1([NH:34][CH2:33][CH2:32][CH2:31][N:28]2[CH2:27][CH2:26][CH:25]([O:24][CH:23]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH2:30][CH2:29]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[n:8][c:9](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[n:10]2Participants
8
Sources & evidence
- ORD record
- ord-72175029fd2548caa1a0848db5f02fb1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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